3-methyl-2-[[piperidin-4-yl(propyl)carbamoyl]amino]butanoic acid

C14H27N3O3 — CID 61407942

IUPAC3-methyl-2-[[piperidin-4-yl(propyl)carbamoyl]amino]butanoic acid
SMILESCCCN(C(=O)NC(C(=O)O)C(C)C)C1CCNCC1
InChIInChI=1S/C14H27N3O3/c1-4-9-17(11-5-7-15-8-6-11)14(20)16-12(10(2)3)13(18)19/h10-12,15H,4-9H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyZHGHYKZUNGBLDK-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.27
Rot. Bonds6

About 3-methyl-2-[[piperidin-4-yl(propyl)carbamoyl]amino]butanoic acid

3-methyl-2-[[piperidin-4-yl(propyl)carbamoyl]amino]butanoic acid (PubChem CID 61407942) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-methyl-2-[[piperidin-4-yl(propyl)carbamoyl]amino]butanoic acid.

Molecular Properties

Compound Name3-methyl-2-[[piperidin-4-yl(propyl)carbamoyl]amino]butanoic acid
PubChem CID61407942
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Name3-methyl-2-[[piperidin-4-yl(propyl)carbamoyl]amino]butanoic acid
SMILESCCCN(C(=O)NC(C(=O)O)C(C)C)C1CCNCC1
InChIInChI=1S/C14H27N3O3/c1-4-9-17(11-5-7-15-8-6-11)14(20)16-12(10(2)3)13(18)19/h10-12,15H,4-9H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyZHGHYKZUNGBLDK-UHFFFAOYSA-N
XLogP1.27
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-methyl-2-[[piperidin-4-yl(propyl)carbamoyl]amino]butanoic acid
CID 61408174
(2S)-2-[[ethyl(piperidin-4-yl)carbamoyl]amino]-3-methylbutanoic acid
CID 61408461
2-[[cyclopropyl(3-methylbutyl)carbamoyl]amino]-3-methylbutanoic acid
CID 78974415
(2S)-2-hydroxy-3-[[piperidin-4-yl(propyl)carbamoyl]amino]propanoic acid
CID 107838747
(2R)-2-[[cyclopropyl(propyl)carbamoyl]amino]propanoic acid
CID 78972118
2-[[piperidin-4-yl(propyl)carbamoyl]amino]acetic acid
CID 61408503
3-methyl-2-[[methyl(piperidin-4-yl)carbamoyl]amino]pentanoic acid
CID 61408349
3-methyl-3-[[piperidin-4-yl(propyl)carbamoyl]amino]butanoic acid
CID 64700277
2-[[cyclopropyl(3-methylbutyl)carbamoyl]amino]-3-methylpentanoic acid
CID 78974444
(2S)-2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]-3-methylbutanoic acid
CID 55009565
3-phenyl-1-piperidin-4-yl-1-propylurea
CID 18372791
(2S)-2-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]-3-methylpentanoic acid
CID 61455510

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[[piperidin-4-yl(propyl)carbamoyl]amino]butanoic acid?
The IUPAC name of 3-methyl-2-[[piperidin-4-yl(propyl)carbamoyl]amino]butanoic acid (CID 61407942) is 3-methyl-2-[[piperidin-4-yl(propyl)carbamoyl]amino]butanoic acid.
What is the SMILES notation for 3-methyl-2-[[piperidin-4-yl(propyl)carbamoyl]amino]butanoic acid?
The canonical SMILES for 3-methyl-2-[[piperidin-4-yl(propyl)carbamoyl]amino]butanoic acid is CCCN(C(=O)NC(C(=O)O)C(C)C)C1CCNCC1.
What is the InChIKey of 3-methyl-2-[[piperidin-4-yl(propyl)carbamoyl]amino]butanoic acid?
The InChIKey is ZHGHYKZUNGBLDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-4-9-17(11-5-7-15-8-6-11)14(20)16-12(10(2)3)13(18)19/h10-12,15H,4-9H2,1-3H3,(H,16,20)(H,18,19).
What are the key properties of 3-methyl-2-[[piperidin-4-yl(propyl)carbamoyl]amino]butanoic acid?
3-methyl-2-[[piperidin-4-yl(propyl)carbamoyl]amino]butanoic acid has a molecular weight of 285.39 g/mol, XLogP of 1.27, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[[piperidin-4-yl(propyl)carbamoyl]amino]butanoic acid is sourced from PubChem (CID 61407942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).