[(2R)-5-(carbamoylamino)-1-[4-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]piperazin-1-yl]-1-oxopentan-2-yl]carbamic acid

C24H35N5O6 — CID 70032717

IUPAC[(2R)-5-(carbamoylamino)-1-[4-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]piperazin-1-yl]-1-oxopentan-2-yl]carbamic acid
SMILESNC(=O)NCCC[C@@H](NC(=O)O)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1
InChIInChI=1S/C24H35N5O6/c25-23(32)26-10-1-3-20(27-24(33)34)22(31)29-14-12-28(13-15-29)11-2-16-35-19-8-6-18(7-9-19)21(30)17-4-5-17/h6-9,17,20,27H,1-5,10-16H2,(H,33,34)(H3,25,26,32)/t20-/m1/s1
InChIKeyVJQYQGVUJAPPSC-HXUWFJFHSA-N
MW489.57 g/mol
LogP1.28
Rot. Bonds13

About [(2R)-5-(carbamoylamino)-1-[4-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]piperazin-1-yl]-1-oxopentan-2-yl]carbamic acid

[(2R)-5-(carbamoylamino)-1-[4-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]piperazin-1-yl]-1-oxopentan-2-yl]carbamic acid (PubChem CID 70032717) has the molecular formula C24H35N5O6 and a molecular weight of 489.57 g/mol. Its IUPAC name is [(2R)-5-(carbamoylamino)-1-[4-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]piperazin-1-yl]-1-oxopentan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(2R)-5-(carbamoylamino)-1-[4-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]piperazin-1-yl]-1-oxopentan-2-yl]carbamic acid
PubChem CID70032717
Molecular FormulaC24H35N5O6
Molecular Weight489.57 g/mol
Exact Mass489.26
IUPAC Name[(2R)-5-(carbamoylamino)-1-[4-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]piperazin-1-yl]-1-oxopentan-2-yl]carbamic acid
SMILESNC(=O)NCCC[C@@H](NC(=O)O)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1
InChIInChI=1S/C24H35N5O6/c25-23(32)26-10-1-3-20(27-24(33)34)22(31)29-14-12-28(13-15-29)11-2-16-35-19-8-6-18(7-9-19)21(30)17-4-5-17/h6-9,17,20,27H,1-5,10-16H2,(H,33,34)(H3,25,26,32)/t20-/m1/s1
InChIKeyVJQYQGVUJAPPSC-HXUWFJFHSA-N
XLogP1.28
TPSA154.30 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.57
LogP ≤ 51.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[(2R)-1-[4-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]piperazin-1-yl]-4,4-dimethyl-1-oxopentan-2-yl]carbamic acid
CID 70032568
(2S)-2-amino-1-[4-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]piperazin-1-yl]propan-1-one
CID 12016525
(2R)-2-amino-1-[4-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]piperazin-1-yl]-3-methylbutan-1-one
CID 102463540
(2R)-2-amino-1-[4-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]-1,4-diazepan-1-yl]butan-1-one
CID 70035392
N-[1-[4-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]piperazin-1-yl]-1-oxopropan-2-yl]-2-methylbenzamide
CID 18540008
tert-butyl N-[(2R)-1-[4-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]-1,4-diazepan-1-yl]-1-oxobutan-2-yl]carbamate
CID 91544974
4-bromo-N-[(2R)-1-[4-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]piperazin-1-yl]-1-oxopropan-2-yl]benzamide
CID 70032825
(2R)-2-[4-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]piperazine-1-carbonyl]azetidine-1-carboxylic acid
CID 70032354
tert-butyl N-[(2R)-1-[4-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 102463532
[(2R)-1-[4-[3-(4-acetylphenoxy)propyl]piperazin-1-yl]-1-oxopropan-2-yl]carbamic acid
CID 70034589
tert-butyl 3-[4-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]piperazine-1-carbonyl]azetidine-1-carboxylate
CID 18540093
[(2R)-1-[4-[3-(4-hexanoylphenoxy)propyl]piperazin-1-yl]-4-methyl-1-oxopentan-2-yl]carbamic acid
CID 70032023

Frequently Asked Questions

What is the IUPAC name of [(2R)-5-(carbamoylamino)-1-[4-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]piperazin-1-yl]-1-oxopentan-2-yl]carbamic acid?
The IUPAC name of [(2R)-5-(carbamoylamino)-1-[4-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]piperazin-1-yl]-1-oxopentan-2-yl]carbamic acid (CID 70032717) is [(2R)-5-(carbamoylamino)-1-[4-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]piperazin-1-yl]-1-oxopentan-2-yl]carbamic acid.
What is the SMILES notation for [(2R)-5-(carbamoylamino)-1-[4-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]piperazin-1-yl]-1-oxopentan-2-yl]carbamic acid?
The canonical SMILES for [(2R)-5-(carbamoylamino)-1-[4-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]piperazin-1-yl]-1-oxopentan-2-yl]carbamic acid is NC(=O)NCCC[C@@H](NC(=O)O)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1.
What is the InChIKey of [(2R)-5-(carbamoylamino)-1-[4-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]piperazin-1-yl]-1-oxopentan-2-yl]carbamic acid?
The InChIKey is VJQYQGVUJAPPSC-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H35N5O6/c25-23(32)26-10-1-3-20(27-24(33)34)22(31)29-14-12-28(13-15-29)11-2-16-35-19-8-6-18(7-9-19)21(30)17-4-5-17/h6-9,17,20,27H,1-5,10-16H2,(H,33,34)(H3,25,26,32)/t20-/m1/s1.
What are the key properties of [(2R)-5-(carbamoylamino)-1-[4-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]piperazin-1-yl]-1-oxopentan-2-yl]carbamic acid?
[(2R)-5-(carbamoylamino)-1-[4-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]piperazin-1-yl]-1-oxopentan-2-yl]carbamic acid has a molecular weight of 489.57 g/mol, XLogP of 1.28, 13 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-5-(carbamoylamino)-1-[4-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]piperazin-1-yl]-1-oxopentan-2-yl]carbamic acid is sourced from PubChem (CID 70032717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).