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

C12H18N2O4 — CID 43170581

IUPAC2-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)C1CCCN(C(=O)C2CC2)C1
InChIInChI=1S/C12H18N2O4/c15-10(16)6-13-11(17)9-2-1-5-14(7-9)12(18)8-3-4-8/h8-9H,1-7H2,(H,13,17)(H,15,16)
InChIKeyLUGXPQZBZJUYRF-UHFFFAOYSA-N
MW254.29 g/mol
LogP-0.16
Rot. Bonds4

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

2-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]acetic acid (PubChem CID 43170581) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]acetic acid
PubChem CID43170581
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name2-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)C1CCCN(C(=O)C2CC2)C1
InChIInChI=1S/C12H18N2O4/c15-10(16)6-13-11(17)9-2-1-5-14(7-9)12(18)8-3-4-8/h8-9H,1-7H2,(H,13,17)(H,15,16)
InChIKeyLUGXPQZBZJUYRF-UHFFFAOYSA-N
XLogP-0.16
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]propanoic acid
CID 43354917
1-(cyclopropanecarbonyl)-N-[2-(ethylamino)-2-oxoethyl]piperidine-3-carboxamide
CID 47030909
3-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]butanoic acid
CID 43172733
2-[[2-[4-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]phenyl]acetyl]amino]acetic acid
CID 119224466
(2S)-4-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]-2-hydroxybutanoic acid
CID 107833948
4-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]-2-hydroxybutanoic acid
CID 107831751
2-[[3-(methylcarbamoyl)piperidine-1-carbonyl]amino]acetic acid
CID 103197217
2-[1-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]cyclopropyl]acetic acid
CID 167826404
1-(cyclopropanecarbonyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide
CID 128945509
N-(2-amino-2-ethylbutyl)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide
CID 119643117
1-(cyclopropanecarbonyl)-N-[(1-propylcyclopropyl)methyl]piperidine-3-carboxamide
CID 71919155
N-(3-amino-2-methylpropyl)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide;hydrochloride
CID 119995887

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]acetic acid (CID 43170581) is 2-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]acetic acid is O=C(O)CNC(=O)C1CCCN(C(=O)C2CC2)C1.
What is the InChIKey of 2-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]acetic acid?
The InChIKey is LUGXPQZBZJUYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c15-10(16)6-13-11(17)9-2-1-5-14(7-9)12(18)8-3-4-8/h8-9H,1-7H2,(H,13,17)(H,15,16).
What are the key properties of 2-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]acetic acid?
2-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]acetic acid has a molecular weight of 254.29 g/mol, XLogP of -0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]acetic acid is sourced from PubChem (CID 43170581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).