[(4S)-5-[[(2S,4S)-5-amino-4-methyl-5-oxopentan-2-yl]amino]-4-(cyclopropanecarbonylamino)-5-oxopentyl]carbamic acid

C16H28N4O5 — CID 155071950

IUPAC[(4S)-5-[[(2S,4S)-5-amino-4-methyl-5-oxopentan-2-yl]amino]-4-(cyclopropanecarbonylamino)-5-oxopentyl]carbamic acid
SMILESC[C@@H](C[C@H](C)C(N)=O)NC(=O)[C@H](CCCNC(=O)O)NC(=O)C1CC1
InChIInChI=1S/C16H28N4O5/c1-9(13(17)21)8-10(2)19-15(23)12(4-3-7-18-16(24)25)20-14(22)11-5-6-11/h9-12,18H,3-8H2,1-2H3,(H2,17,21)(H,19,23)(H,20,22)(H,24,25)/t9-,10-,12-/m0/s1
InChIKeySDQFWJDJJJHJAP-NHCYSSNCSA-N
MW356.42 g/mol
LogP-0.05
Rot. Bonds11

About [(4S)-5-[[(2S,4S)-5-amino-4-methyl-5-oxopentan-2-yl]amino]-4-(cyclopropanecarbonylamino)-5-oxopentyl]carbamic acid

[(4S)-5-[[(2S,4S)-5-amino-4-methyl-5-oxopentan-2-yl]amino]-4-(cyclopropanecarbonylamino)-5-oxopentyl]carbamic acid (PubChem CID 155071950) has the molecular formula C16H28N4O5 and a molecular weight of 356.42 g/mol. Its IUPAC name is [(4S)-5-[[(2S,4S)-5-amino-4-methyl-5-oxopentan-2-yl]amino]-4-(cyclopropanecarbonylamino)-5-oxopentyl]carbamic acid.

Molecular Properties

Compound Name[(4S)-5-[[(2S,4S)-5-amino-4-methyl-5-oxopentan-2-yl]amino]-4-(cyclopropanecarbonylamino)-5-oxopentyl]carbamic acid
PubChem CID155071950
Molecular FormulaC16H28N4O5
Molecular Weight356.42 g/mol
Exact Mass356.21
IUPAC Name[(4S)-5-[[(2S,4S)-5-amino-4-methyl-5-oxopentan-2-yl]amino]-4-(cyclopropanecarbonylamino)-5-oxopentyl]carbamic acid
SMILESC[C@@H](C[C@H](C)C(N)=O)NC(=O)[C@H](CCCNC(=O)O)NC(=O)C1CC1
InChIInChI=1S/C16H28N4O5/c1-9(13(17)21)8-10(2)19-15(23)12(4-3-7-18-16(24)25)20-14(22)11-5-6-11/h9-12,18H,3-8H2,1-2H3,(H2,17,21)(H,19,23)(H,20,22)(H,24,25)/t9-,10-,12-/m0/s1
InChIKeySDQFWJDJJJHJAP-NHCYSSNCSA-N
XLogP-0.05
TPSA150.62 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 5-0.05
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(4S)-5-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-(cyclopropanecarbonylamino)-5-oxopentyl]carbamic acid
CID 138591536
(2S)-2-(cyclopropanecarbonylamino)-5-(2-methylpropanoylamino)pentanoic acid
CID 54274989
[(2S)-2-acetamido-3-[[(2S,4S)-5-amino-4-methyl-5-oxopentan-2-yl]amino]-3-oxopropyl]carbamic acid
CID 155071958
[(4S)-4-amino-5-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-5-oxopentyl]carbamic acid
CID 138591665
[(5S)-5-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-6-amino-6-oxohexyl]carbamic acid
CID 138591141
[4-acetamido-5-[(2-amino-2-oxoethyl)amino]-5-oxopentyl]carbamic acid
CID 138591623
N-(4-methylpentan-2-yl)cyclopropanecarboxamide
CID 64592829
N-(4-hydroxybutan-2-yl)cyclopropanecarboxamide
CID 81042795
[1-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-5-(carboxyamino)-1-oxopentan-2-yl]carbamic acid
CID 138591868
[3-acetamido-4-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-4-oxobutyl]carbamic acid
CID 138591769
N-[(2S)-5-[(N'-methylcarbamimidoyl)amino]-1-[[(1R)-3-methyl-1-[(1S,2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]butyl]amino]-1-oxopentan-2-yl]cyclopropanecarboxamide
CID 90088224
4-(4-methylpentan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 120674506

Frequently Asked Questions

What is the IUPAC name of [(4S)-5-[[(2S,4S)-5-amino-4-methyl-5-oxopentan-2-yl]amino]-4-(cyclopropanecarbonylamino)-5-oxopentyl]carbamic acid?
The IUPAC name of [(4S)-5-[[(2S,4S)-5-amino-4-methyl-5-oxopentan-2-yl]amino]-4-(cyclopropanecarbonylamino)-5-oxopentyl]carbamic acid (CID 155071950) is [(4S)-5-[[(2S,4S)-5-amino-4-methyl-5-oxopentan-2-yl]amino]-4-(cyclopropanecarbonylamino)-5-oxopentyl]carbamic acid.
What is the SMILES notation for [(4S)-5-[[(2S,4S)-5-amino-4-methyl-5-oxopentan-2-yl]amino]-4-(cyclopropanecarbonylamino)-5-oxopentyl]carbamic acid?
The canonical SMILES for [(4S)-5-[[(2S,4S)-5-amino-4-methyl-5-oxopentan-2-yl]amino]-4-(cyclopropanecarbonylamino)-5-oxopentyl]carbamic acid is C[C@@H](C[C@H](C)C(N)=O)NC(=O)[C@H](CCCNC(=O)O)NC(=O)C1CC1.
What is the InChIKey of [(4S)-5-[[(2S,4S)-5-amino-4-methyl-5-oxopentan-2-yl]amino]-4-(cyclopropanecarbonylamino)-5-oxopentyl]carbamic acid?
The InChIKey is SDQFWJDJJJHJAP-NHCYSSNCSA-N. The full InChI is InChI=1S/C16H28N4O5/c1-9(13(17)21)8-10(2)19-15(23)12(4-3-7-18-16(24)25)20-14(22)11-5-6-11/h9-12,18H,3-8H2,1-2H3,(H2,17,21)(H,19,23)(H,20,22)(H,24,25)/t9-,10-,12-/m0/s1.
What are the key properties of [(4S)-5-[[(2S,4S)-5-amino-4-methyl-5-oxopentan-2-yl]amino]-4-(cyclopropanecarbonylamino)-5-oxopentyl]carbamic acid?
[(4S)-5-[[(2S,4S)-5-amino-4-methyl-5-oxopentan-2-yl]amino]-4-(cyclopropanecarbonylamino)-5-oxopentyl]carbamic acid has a molecular weight of 356.42 g/mol, XLogP of -0.05, 11 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-5-[[(2S,4S)-5-amino-4-methyl-5-oxopentan-2-yl]amino]-4-(cyclopropanecarbonylamino)-5-oxopentyl]carbamic acid is sourced from PubChem (CID 155071950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).