3-cyclopropyl-2-[(3,4-dimethylpiperidine-1-carbonyl)amino]propanoic acid

C14H24N2O3 — CID 112735129

IUPAC3-cyclopropyl-2-[(3,4-dimethylpiperidine-1-carbonyl)amino]propanoic acid
SMILESCC1CCN(C(=O)NC(CC2CC2)C(=O)O)CC1C
InChIInChI=1S/C14H24N2O3/c1-9-5-6-16(8-10(9)2)14(19)15-12(13(17)18)7-11-3-4-11/h9-12H,3-8H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyMXSYHCPTFNTEII-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.93
Rot. Bonds4

About 3-cyclopropyl-2-[(3,4-dimethylpiperidine-1-carbonyl)amino]propanoic acid

3-cyclopropyl-2-[(3,4-dimethylpiperidine-1-carbonyl)amino]propanoic acid (PubChem CID 112735129) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-cyclopropyl-2-[(3,4-dimethylpiperidine-1-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-2-[(3,4-dimethylpiperidine-1-carbonyl)amino]propanoic acid
PubChem CID112735129
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name3-cyclopropyl-2-[(3,4-dimethylpiperidine-1-carbonyl)amino]propanoic acid
SMILESCC1CCN(C(=O)NC(CC2CC2)C(=O)O)CC1C
InChIInChI=1S/C14H24N2O3/c1-9-5-6-16(8-10(9)2)14(19)15-12(13(17)18)7-11-3-4-11/h9-12H,3-8H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyMXSYHCPTFNTEII-UHFFFAOYSA-N
XLogP1.93
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[(3,4-dimethylpiperidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 104874475
(2R)-3-hydroxy-2-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]propanoic acid
CID 102961873
3-cyclopropyl-2-[(2,4-dimethylpiperazine-1-carbonyl)amino]propanoic acid
CID 112735135
3-hydroxy-2-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]propanoic acid
CID 112626765
(2S)-3-cyclopropyl-2-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]propanoic acid
CID 112734917
2-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]pent-4-ynoic acid
CID 114679478
(2R)-2-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 102961918
4-hydroxy-2-[(3-methoxy-4-methylpiperidine-1-carbonyl)amino]butanoic acid
CID 102962820
(2R)-2-[(3-aminopyrrolidine-1-carbonyl)amino]pentanoic acid
CID 107566773
(2R)-2-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]butanoic acid
CID 103942895
(2R)-2-[(3-propylpyrrolidine-1-carbonyl)amino]pentanoic acid
CID 107567557
4-methoxy-2-[(3-methoxy-4-methylpiperidine-1-carbonyl)amino]butanoic acid
CID 102962656

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-2-[(3,4-dimethylpiperidine-1-carbonyl)amino]propanoic acid?
The IUPAC name of 3-cyclopropyl-2-[(3,4-dimethylpiperidine-1-carbonyl)amino]propanoic acid (CID 112735129) is 3-cyclopropyl-2-[(3,4-dimethylpiperidine-1-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-cyclopropyl-2-[(3,4-dimethylpiperidine-1-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-cyclopropyl-2-[(3,4-dimethylpiperidine-1-carbonyl)amino]propanoic acid is CC1CCN(C(=O)NC(CC2CC2)C(=O)O)CC1C.
What is the InChIKey of 3-cyclopropyl-2-[(3,4-dimethylpiperidine-1-carbonyl)amino]propanoic acid?
The InChIKey is MXSYHCPTFNTEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-9-5-6-16(8-10(9)2)14(19)15-12(13(17)18)7-11-3-4-11/h9-12H,3-8H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 3-cyclopropyl-2-[(3,4-dimethylpiperidine-1-carbonyl)amino]propanoic acid?
3-cyclopropyl-2-[(3,4-dimethylpiperidine-1-carbonyl)amino]propanoic acid has a molecular weight of 268.36 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-2-[(3,4-dimethylpiperidine-1-carbonyl)amino]propanoic acid is sourced from PubChem (CID 112735129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).