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

C12H20N2O3 — CID 81141369

IUPAC3-[cyclopropyl-[(3R)-piperidine-3-carbonyl]amino]propanoic acid
SMILESO=C(O)CCN(C(=O)[C@@H]1CCCNC1)C1CC1
InChIInChI=1S/C12H20N2O3/c15-11(16)5-7-14(10-3-4-10)12(17)9-2-1-6-13-8-9/h9-10,13H,1-8H2,(H,15,16)/t9-/m1/s1
InChIKeyITSUSEPXHTZDHL-SECBINFHSA-N
MW240.30 g/mol
LogP0.45
Rot. Bonds5

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

3-[cyclopropyl-[(3R)-piperidine-3-carbonyl]amino]propanoic acid (PubChem CID 81141369) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 3-[cyclopropyl-[(3R)-piperidine-3-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl-[(3R)-piperidine-3-carbonyl]amino]propanoic acid
PubChem CID81141369
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name3-[cyclopropyl-[(3R)-piperidine-3-carbonyl]amino]propanoic acid
SMILESO=C(O)CCN(C(=O)[C@@H]1CCCNC1)C1CC1
InChIInChI=1S/C12H20N2O3/c15-11(16)5-7-14(10-3-4-10)12(17)9-2-1-6-13-8-9/h9-10,13H,1-8H2,(H,15,16)/t9-/m1/s1
InChIKeyITSUSEPXHTZDHL-SECBINFHSA-N
XLogP0.45
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[cyclopropyl-[(3S)-piperidine-3-carbonyl]amino]propanoic acid
CID 81141368
2-[cyclopropyl-[(3R)-piperidine-3-carbonyl]amino]acetic acid
CID 81141373
(3R)-N-butyl-N-cyclopropylpiperidine-3-carboxamide
CID 81129307
3-[cyclopentanecarbonyl(cyclopropyl)amino]propanoic acid
CID 60845034
3-[N-(piperidine-3-carbonyl)anilino]propanoic acid
CID 61160684
(3R)-N-cyclopentyl-N-ethylpiperidine-3-carboxamide
CID 81123268
(3S)-N-cyclopentyl-N-ethylpiperidine-3-carboxamide
CID 81123267
4-[piperidine-3-carbonyl(propan-2-yl)amino]butanoic acid
CID 61162075
N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
CID 54874074
(3S)-N-cyclopentyl-N-prop-2-enylpiperidine-3-carboxamide
CID 81128987
2-[cyclopentyl(pyrrolidine-3-carbonyl)amino]acetic acid
CID 63005463
3-[cyclopropyl-(6-oxopiperidine-3-carbonyl)amino]propanoic acid
CID 83192342

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-[(3R)-piperidine-3-carbonyl]amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl-[(3R)-piperidine-3-carbonyl]amino]propanoic acid (CID 81141369) is 3-[cyclopropyl-[(3R)-piperidine-3-carbonyl]amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl-[(3R)-piperidine-3-carbonyl]amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl-[(3R)-piperidine-3-carbonyl]amino]propanoic acid is O=C(O)CCN(C(=O)[C@@H]1CCCNC1)C1CC1.
What is the InChIKey of 3-[cyclopropyl-[(3R)-piperidine-3-carbonyl]amino]propanoic acid?
The InChIKey is ITSUSEPXHTZDHL-SECBINFHSA-N. The full InChI is InChI=1S/C12H20N2O3/c15-11(16)5-7-14(10-3-4-10)12(17)9-2-1-6-13-8-9/h9-10,13H,1-8H2,(H,15,16)/t9-/m1/s1.
What are the key properties of 3-[cyclopropyl-[(3R)-piperidine-3-carbonyl]amino]propanoic acid?
3-[cyclopropyl-[(3R)-piperidine-3-carbonyl]amino]propanoic acid has a molecular weight of 240.30 g/mol, XLogP of 0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-[(3R)-piperidine-3-carbonyl]amino]propanoic acid is sourced from PubChem (CID 81141369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).