2-[cyclopropyl-[(3R)-piperidine-3-carbonyl]amino]acetic acid

C11H18N2O3 — CID 81141373

IUPAC2-[cyclopropyl-[(3R)-piperidine-3-carbonyl]amino]acetic acid
SMILESO=C(O)CN(C(=O)[C@@H]1CCCNC1)C1CC1
InChIInChI=1S/C11H18N2O3/c14-10(15)7-13(9-3-4-9)11(16)8-2-1-5-12-6-8/h8-9,12H,1-7H2,(H,14,15)/t8-/m1/s1
InChIKeyRPGGCOZKRUPDIV-MRVPVSSYSA-N
MW226.28 g/mol
LogP0.06
Rot. Bonds4

About 2-[cyclopropyl-[(3R)-piperidine-3-carbonyl]amino]acetic acid

2-[cyclopropyl-[(3R)-piperidine-3-carbonyl]amino]acetic acid (PubChem CID 81141373) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-[cyclopropyl-[(3R)-piperidine-3-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[(3R)-piperidine-3-carbonyl]amino]acetic acid
PubChem CID81141373
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name2-[cyclopropyl-[(3R)-piperidine-3-carbonyl]amino]acetic acid
SMILESO=C(O)CN(C(=O)[C@@H]1CCCNC1)C1CC1
InChIInChI=1S/C11H18N2O3/c14-10(15)7-13(9-3-4-9)11(16)8-2-1-5-12-6-8/h8-9,12H,1-7H2,(H,14,15)/t8-/m1/s1
InChIKeyRPGGCOZKRUPDIV-MRVPVSSYSA-N
XLogP0.06
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopentyl(pyrrolidine-3-carbonyl)amino]acetic acid
CID 63005463
3-[cyclopropyl-[(3R)-piperidine-3-carbonyl]amino]propanoic acid
CID 81141369
3-[cyclopropyl-[(3S)-piperidine-3-carbonyl]amino]propanoic acid
CID 81141368
(3R)-N-butyl-N-cyclopropylpiperidine-3-carboxamide
CID 81129307
(3R)-N-cyclopentyl-N-ethylpiperidine-3-carboxamide
CID 81123268
(3S)-N-cyclopentyl-N-ethylpiperidine-3-carboxamide
CID 81123267
2-[piperidine-3-carbonyl(prop-2-enyl)amino]acetic acid
CID 79265013
(3S)-N-cyclopentyl-N-prop-2-enylpiperidine-3-carboxamide
CID 81128987
N-(2-amino-2-oxoethyl)-N-piperidin-3-ylcyclopentanecarboxamide
CID 60801225
2-[[(3R)-piperidine-3-carbonyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 81133973
N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
CID 54874074
N-cyclopropyl-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 60937275

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[(3R)-piperidine-3-carbonyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[(3R)-piperidine-3-carbonyl]amino]acetic acid (CID 81141373) is 2-[cyclopropyl-[(3R)-piperidine-3-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[(3R)-piperidine-3-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[(3R)-piperidine-3-carbonyl]amino]acetic acid is O=C(O)CN(C(=O)[C@@H]1CCCNC1)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[(3R)-piperidine-3-carbonyl]amino]acetic acid?
The InChIKey is RPGGCOZKRUPDIV-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H18N2O3/c14-10(15)7-13(9-3-4-9)11(16)8-2-1-5-12-6-8/h8-9,12H,1-7H2,(H,14,15)/t8-/m1/s1.
What are the key properties of 2-[cyclopropyl-[(3R)-piperidine-3-carbonyl]amino]acetic acid?
2-[cyclopropyl-[(3R)-piperidine-3-carbonyl]amino]acetic acid has a molecular weight of 226.28 g/mol, XLogP of 0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[(3R)-piperidine-3-carbonyl]amino]acetic acid is sourced from PubChem (CID 81141373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).