4-methoxy-2-[[4-(2-methylpropyl)piperazine-1-carbonyl]amino]butanoic acid

C14H27N3O4 — CID 62777483

IUPAC4-methoxy-2-[[4-(2-methylpropyl)piperazine-1-carbonyl]amino]butanoic acid
SMILESCOCCC(NC(=O)N1CCN(CC(C)C)CC1)C(=O)O
InChIInChI=1S/C14H27N3O4/c1-11(2)10-16-5-7-17(8-6-16)14(20)15-12(13(18)19)4-9-21-3/h11-12H,4-10H2,1-3H3,(H,15,20)(H,18,19)
InChIKeyDKOOYVZGBPXASF-UHFFFAOYSA-N
MW301.39 g/mol
LogP0.46
Rot. Bonds7

About 4-methoxy-2-[[4-(2-methylpropyl)piperazine-1-carbonyl]amino]butanoic acid

4-methoxy-2-[[4-(2-methylpropyl)piperazine-1-carbonyl]amino]butanoic acid (PubChem CID 62777483) has the molecular formula C14H27N3O4 and a molecular weight of 301.39 g/mol. Its IUPAC name is 4-methoxy-2-[[4-(2-methylpropyl)piperazine-1-carbonyl]amino]butanoic acid.

Molecular Properties

Compound Name4-methoxy-2-[[4-(2-methylpropyl)piperazine-1-carbonyl]amino]butanoic acid
PubChem CID62777483
Molecular FormulaC14H27N3O4
Molecular Weight301.39 g/mol
Exact Mass301.20
IUPAC Name4-methoxy-2-[[4-(2-methylpropyl)piperazine-1-carbonyl]amino]butanoic acid
SMILESCOCCC(NC(=O)N1CCN(CC(C)C)CC1)C(=O)O
InChIInChI=1S/C14H27N3O4/c1-11(2)10-16-5-7-17(8-6-16)14(20)15-12(13(18)19)4-9-21-3/h11-12H,4-10H2,1-3H3,(H,15,20)(H,18,19)
InChIKeyDKOOYVZGBPXASF-UHFFFAOYSA-N
XLogP0.46
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-2-(thiomorpholine-4-carbonylamino)butanoic acid
CID 62480080
4-methoxy-2-(piperazine-1-carbonylamino)butanoic acid
CID 62480436
(2R)-4-amino-2-[[4-(2-methylpropyl)piperazine-1-carbonyl]amino]-4-oxobutanoic acid
CID 107827567
2-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]-4-methoxybutanoic acid
CID 106836809
2-(azepane-1-carbonylamino)-5-methoxypentanoic acid
CID 81076676
4-methoxy-2-[(3,3,4-trimethylpiperazine-1-carbonyl)amino]butanoic acid
CID 63615061
(2S,3R)-3-hydroxy-2-[[4-(2-methylpropyl)piperazine-1-carbonyl]amino]butanoic acid
CID 104966208
4-methoxy-2-[(3-methoxy-4-methylpiperidine-1-carbonyl)amino]butanoic acid
CID 102962656
(2S)-5-methoxy-2-[(4-methylpiperazine-1-carbonyl)amino]-5-oxopentanoic acid
CID 107825523
N-ethyl-4-(2-methylpropyl)piperazine-1-carboxamide
CID 115569927
2-(azepane-1-carbonylamino)-3-methoxypropanoic acid
CID 81077084
2-[(4,4-dimethylazepane-1-carbonyl)amino]-5-methoxypentanoic acid
CID 81086424

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[[4-(2-methylpropyl)piperazine-1-carbonyl]amino]butanoic acid?
The IUPAC name of 4-methoxy-2-[[4-(2-methylpropyl)piperazine-1-carbonyl]amino]butanoic acid (CID 62777483) is 4-methoxy-2-[[4-(2-methylpropyl)piperazine-1-carbonyl]amino]butanoic acid.
What is the SMILES notation for 4-methoxy-2-[[4-(2-methylpropyl)piperazine-1-carbonyl]amino]butanoic acid?
The canonical SMILES for 4-methoxy-2-[[4-(2-methylpropyl)piperazine-1-carbonyl]amino]butanoic acid is COCCC(NC(=O)N1CCN(CC(C)C)CC1)C(=O)O.
What is the InChIKey of 4-methoxy-2-[[4-(2-methylpropyl)piperazine-1-carbonyl]amino]butanoic acid?
The InChIKey is DKOOYVZGBPXASF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O4/c1-11(2)10-16-5-7-17(8-6-16)14(20)15-12(13(18)19)4-9-21-3/h11-12H,4-10H2,1-3H3,(H,15,20)(H,18,19).
What are the key properties of 4-methoxy-2-[[4-(2-methylpropyl)piperazine-1-carbonyl]amino]butanoic acid?
4-methoxy-2-[[4-(2-methylpropyl)piperazine-1-carbonyl]amino]butanoic acid has a molecular weight of 301.39 g/mol, XLogP of 0.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[[4-(2-methylpropyl)piperazine-1-carbonyl]amino]butanoic acid is sourced from PubChem (CID 62777483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).