1-[2-(azetidin-3-yl)propanoylamino]cyclopropane-1-carboxylic acid

C10H16N2O3 — CID 116678206

IUPAC1-[2-(azetidin-3-yl)propanoylamino]cyclopropane-1-carboxylic acid
SMILESCC(C(=O)NC1(C(=O)O)CC1)C1CNC1
InChIInChI=1S/C10H16N2O3/c1-6(7-4-11-5-7)8(13)12-10(2-3-10)9(14)15/h6-7,11H,2-5H2,1H3,(H,12,13)(H,14,15)
InChIKeyPMCHBBCKLIUQTN-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.42
Rot. Bonds4

About 1-[2-(azetidin-3-yl)propanoylamino]cyclopropane-1-carboxylic acid

1-[2-(azetidin-3-yl)propanoylamino]cyclopropane-1-carboxylic acid (PubChem CID 116678206) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 1-[2-(azetidin-3-yl)propanoylamino]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-(azetidin-3-yl)propanoylamino]cyclopropane-1-carboxylic acid
PubChem CID116678206
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name1-[2-(azetidin-3-yl)propanoylamino]cyclopropane-1-carboxylic acid
SMILESCC(C(=O)NC1(C(=O)O)CC1)C1CNC1
InChIInChI=1S/C10H16N2O3/c1-6(7-4-11-5-7)8(13)12-10(2-3-10)9(14)15/h6-7,11H,2-5H2,1H3,(H,12,13)(H,14,15)
InChIKeyPMCHBBCKLIUQTN-UHFFFAOYSA-N
XLogP-0.42
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-cyclopropylpropanoylamino)cyclohexane-1-carboxylic acid
CID 115282657
2-[2-(azetidin-3-yl)propanoylamino]propanoic acid
CID 116676916
1-[[(2S)-2-bromopropanoyl]amino]cyclopentane-1-carboxylic acid
CID 59902421
3-[2-(azetidin-3-yl)propanoylamino]butanoic acid
CID 116676971
4-ethyl-1-[2-(oxan-4-yl)propanoylamino]cyclohexane-1-carboxylic acid
CID 120688305
3-[2-(oxan-4-yl)propanoylamino]oxolane-3-carboxylic acid
CID 120688768
1-[(3-methyl-2-propan-2-ylbutanoyl)amino]cyclohexane-1-carboxylic acid
CID 114282150
1-[[(2R)-2-aminopropanoyl]amino]cyclohexane-1-carboxylic acid
CID 10632420
2-(azetidin-3-yl)-N-cyclopentylpropanamide
CID 116674243
2-[2-(azetidin-3-yl)propanoylamino]-2-cyclopropylacetic acid
CID 116677711
1-[(3-cyclopentyl-2-methylpropanoyl)amino]cyclohexane-1-carboxylic acid
CID 119132497
2-(azetidin-3-yl)-N-(cyclopropylmethyl)propanamide
CID 116674271

Frequently Asked Questions

What is the IUPAC name of 1-[2-(azetidin-3-yl)propanoylamino]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[2-(azetidin-3-yl)propanoylamino]cyclopropane-1-carboxylic acid (CID 116678206) is 1-[2-(azetidin-3-yl)propanoylamino]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[2-(azetidin-3-yl)propanoylamino]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[2-(azetidin-3-yl)propanoylamino]cyclopropane-1-carboxylic acid is CC(C(=O)NC1(C(=O)O)CC1)C1CNC1.
What is the InChIKey of 1-[2-(azetidin-3-yl)propanoylamino]cyclopropane-1-carboxylic acid?
The InChIKey is PMCHBBCKLIUQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-6(7-4-11-5-7)8(13)12-10(2-3-10)9(14)15/h6-7,11H,2-5H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 1-[2-(azetidin-3-yl)propanoylamino]cyclopropane-1-carboxylic acid?
1-[2-(azetidin-3-yl)propanoylamino]cyclopropane-1-carboxylic acid has a molecular weight of 212.25 g/mol, XLogP of -0.42, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(azetidin-3-yl)propanoylamino]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 116678206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).