3-[cyclopropyl-[(2-methoxycyclopentyl)carbamoyl]amino]propanoic acid

C13H22N2O4 — CID 62088099

IUPAC3-[cyclopropyl-[(2-methoxycyclopentyl)carbamoyl]amino]propanoic acid
SMILESCOC1CCCC1NC(=O)N(CCC(=O)O)C1CC1
InChIInChI=1S/C13H22N2O4/c1-19-11-4-2-3-10(11)14-13(18)15(9-5-6-9)8-7-12(16)17/h9-11H,2-8H2,1H3,(H,14,18)(H,16,17)
InChIKeyNYUPKSKVISKGLG-UHFFFAOYSA-N
MW270.33 g/mol
LogP1.20
Rot. Bonds6

About 3-[cyclopropyl-[(2-methoxycyclopentyl)carbamoyl]amino]propanoic acid

3-[cyclopropyl-[(2-methoxycyclopentyl)carbamoyl]amino]propanoic acid (PubChem CID 62088099) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 3-[cyclopropyl-[(2-methoxycyclopentyl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl-[(2-methoxycyclopentyl)carbamoyl]amino]propanoic acid
PubChem CID62088099
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name3-[cyclopropyl-[(2-methoxycyclopentyl)carbamoyl]amino]propanoic acid
SMILESCOC1CCCC1NC(=O)N(CCC(=O)O)C1CC1
InChIInChI=1S/C13H22N2O4/c1-19-11-4-2-3-10(11)14-13(18)15(9-5-6-9)8-7-12(16)17/h9-11H,2-8H2,1H3,(H,14,18)(H,16,17)
InChIKeyNYUPKSKVISKGLG-UHFFFAOYSA-N
XLogP1.20
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-1-(2-hydroxyethyl)-3-[(1S,2S)-2-methoxycyclohexyl]urea
CID 96565800
1-cyclopropyl-1-(2-hydroxyethyl)-3-[(1R,2R)-2-methoxycyclohexyl]urea
CID 96565801
1,1-diethyl-3-(2-methoxycyclopentyl)urea
CID 115693925
3-[cyclooctylcarbamoyl(cyclopropyl)amino]propanoic acid
CID 61181431
2-[N-[(2-methoxycyclopentyl)carbamoyl]anilino]acetic acid
CID 62088266
3-[cyclopropyl(methoxycarbonyl)amino]propanoic acid
CID 60828272
2-[(2-methoxycyclopentyl)carbamoylamino]pentanedioic acid
CID 62088265
N-(2-methoxycyclopentyl)-3-sulfanylpropanamide
CID 107027892
1-[(2-hydroxycyclopentyl)methyl]-3-(2-methoxycycloheptyl)-1-methylurea
CID 75432538
3-[cyclopropyl-[(3-ethylcyclohexyl)carbamoyl]amino]propanoic acid
CID 64742171
2-[[cyclopropyl(2-hydroxyethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 64815568
3-[acetyl(cyclopropyl)amino]propanoic acid
CID 60843836

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-[(2-methoxycyclopentyl)carbamoyl]amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl-[(2-methoxycyclopentyl)carbamoyl]amino]propanoic acid (CID 62088099) is 3-[cyclopropyl-[(2-methoxycyclopentyl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl-[(2-methoxycyclopentyl)carbamoyl]amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl-[(2-methoxycyclopentyl)carbamoyl]amino]propanoic acid is COC1CCCC1NC(=O)N(CCC(=O)O)C1CC1.
What is the InChIKey of 3-[cyclopropyl-[(2-methoxycyclopentyl)carbamoyl]amino]propanoic acid?
The InChIKey is NYUPKSKVISKGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-19-11-4-2-3-10(11)14-13(18)15(9-5-6-9)8-7-12(16)17/h9-11H,2-8H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 3-[cyclopropyl-[(2-methoxycyclopentyl)carbamoyl]amino]propanoic acid?
3-[cyclopropyl-[(2-methoxycyclopentyl)carbamoyl]amino]propanoic acid has a molecular weight of 270.33 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-[(2-methoxycyclopentyl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 62088099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).