4-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]-2-hydroxybutanoic acid

C14H22N2O5 — CID 107831751

IUPAC4-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]-2-hydroxybutanoic acid
SMILESO=C(O)C(O)CCNC(=O)C1CCCN(C(=O)C2CC2)C1
InChIInChI=1S/C14H22N2O5/c17-11(14(20)21)5-6-15-12(18)10-2-1-7-16(8-10)13(19)9-3-4-9/h9-11,17H,1-8H2,(H,15,18)(H,20,21)
InChIKeyAUWVTGJIFAVBQY-UHFFFAOYSA-N
MW298.34 g/mol
LogP-0.41
Rot. Bonds6

About 4-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]-2-hydroxybutanoic acid

4-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]-2-hydroxybutanoic acid (PubChem CID 107831751) has the molecular formula C14H22N2O5 and a molecular weight of 298.34 g/mol. Its IUPAC name is 4-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]-2-hydroxybutanoic acid.

Molecular Properties

Compound Name4-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]-2-hydroxybutanoic acid
PubChem CID107831751
Molecular FormulaC14H22N2O5
Molecular Weight298.34 g/mol
Exact Mass298.15
IUPAC Name4-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]-2-hydroxybutanoic acid
SMILESO=C(O)C(O)CCNC(=O)C1CCCN(C(=O)C2CC2)C1
InChIInChI=1S/C14H22N2O5/c17-11(14(20)21)5-6-15-12(18)10-2-1-7-16(8-10)13(19)9-3-4-9/h9-11,17H,1-8H2,(H,15,18)(H,20,21)
InChIKeyAUWVTGJIFAVBQY-UHFFFAOYSA-N
XLogP-0.41
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]-2-hydroxybutanoic acid
CID 107833948
(2S)-4-[(1-acetylpiperidine-3-carbonyl)amino]-2-hydroxybutanoic acid
CID 107834670
3-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]propanoic acid
CID 43354917
(2S)-4-(cycloheptanecarbonylamino)-2-hydroxybutanoic acid
CID 107834810
2-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]acetic acid
CID 43170581
1-(cyclopropanecarbonyl)-N-(5-hydroxy-4-methylpentyl)piperidine-3-carboxamide
CID 103862358
N-(3-methylbutyl)-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109149725
N-(3-hydroxybutyl)-1-propanoylpiperidine-3-carboxamide
CID 111429215
(3R)-N-[2-[(S)-tert-butylsulfinyl]ethyl]-1-(cyclopropanecarbonyl)piperidine-3-carboxamide
CID 95623392
1-(cyclopropanecarbonyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide
CID 128945509
1-(cyclopropanecarbonyl)-N-[2-(ethylamino)-2-oxoethyl]piperidine-3-carboxamide
CID 47030909
3-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]butanoic acid
CID 43172733

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]-2-hydroxybutanoic acid?
The IUPAC name of 4-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]-2-hydroxybutanoic acid (CID 107831751) is 4-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]-2-hydroxybutanoic acid.
What is the SMILES notation for 4-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]-2-hydroxybutanoic acid?
The canonical SMILES for 4-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]-2-hydroxybutanoic acid is O=C(O)C(O)CCNC(=O)C1CCCN(C(=O)C2CC2)C1.
What is the InChIKey of 4-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]-2-hydroxybutanoic acid?
The InChIKey is AUWVTGJIFAVBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O5/c17-11(14(20)21)5-6-15-12(18)10-2-1-7-16(8-10)13(19)9-3-4-9/h9-11,17H,1-8H2,(H,15,18)(H,20,21).
What are the key properties of 4-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]-2-hydroxybutanoic acid?
4-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]-2-hydroxybutanoic acid has a molecular weight of 298.34 g/mol, XLogP of -0.41, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]-2-hydroxybutanoic acid is sourced from PubChem (CID 107831751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).