3-[[2-(cyclopentylcarbamoylamino)-2-oxoethyl]-cyclopropylamino]propanoic acid

C14H23N3O4 — CID 60840718

IUPAC3-[[2-(cyclopentylcarbamoylamino)-2-oxoethyl]-cyclopropylamino]propanoic acid
SMILESO=C(O)CCN(CC(=O)NC(=O)NC1CCCC1)C1CC1
InChIInChI=1S/C14H23N3O4/c18-12(16-14(21)15-10-3-1-2-4-10)9-17(11-5-6-11)8-7-13(19)20/h10-11H,1-9H2,(H,19,20)(H2,15,16,18,21)
InChIKeyRBNYAMXYAJLJHN-UHFFFAOYSA-N
MW297.36 g/mol
LogP0.69
Rot. Bonds7

About 3-[[2-(cyclopentylcarbamoylamino)-2-oxoethyl]-cyclopropylamino]propanoic acid

3-[[2-(cyclopentylcarbamoylamino)-2-oxoethyl]-cyclopropylamino]propanoic acid (PubChem CID 60840718) has the molecular formula C14H23N3O4 and a molecular weight of 297.36 g/mol. Its IUPAC name is 3-[[2-(cyclopentylcarbamoylamino)-2-oxoethyl]-cyclopropylamino]propanoic acid.

Molecular Properties

Compound Name3-[[2-(cyclopentylcarbamoylamino)-2-oxoethyl]-cyclopropylamino]propanoic acid
PubChem CID60840718
Molecular FormulaC14H23N3O4
Molecular Weight297.36 g/mol
Exact Mass297.17
IUPAC Name3-[[2-(cyclopentylcarbamoylamino)-2-oxoethyl]-cyclopropylamino]propanoic acid
SMILESO=C(O)CCN(CC(=O)NC(=O)NC1CCCC1)C1CC1
InChIInChI=1S/C14H23N3O4/c18-12(16-14(21)15-10-3-1-2-4-10)9-17(11-5-6-11)8-7-13(19)20/h10-11H,1-9H2,(H,19,20)(H2,15,16,18,21)
InChIKeyRBNYAMXYAJLJHN-UHFFFAOYSA-N
XLogP0.69
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(cyclohexylamino)-2-oxoethyl]-cyclopropylamino]acetic acid
CID 54945026
6-(cyclohexylcarbamoylamino)-6-oxohexanoic acid
CID 43447271
N-(cyclopentylcarbamoyl)-2-[ethyl(piperidin-4-yl)amino]acetamide
CID 60807146
2-[2-aminoethyl(cyclopropyl)amino]-N-cycloheptylacetamide
CID 62548939
2-[cyclopentyl(methyl)amino]-N-(cyclopropylcarbamoyl)acetamide
CID 47126757
N-(cyclopropylcarbamoyl)-2-[methyl-(4-methylcyclohexyl)amino]acetamide
CID 47113229
2-[cyclohexyl(2-hydroxyethyl)amino]-N-cyclopentylacetamide
CID 60694014
2-[cyclohexyl(methyl)amino]-N-(cyclopropylcarbamoyl)acetamide
CID 40706155
2-[3-aminopropyl(cyclopropyl)amino]-N-cyclohexylacetamide
CID 43137540
3-[carboxymethyl-[2-(cyclopentylamino)-2-oxoethyl]amino]propanoic acid
CID 82327406
3-[cyclohexyl(2-oxopropyl)amino]propanoic acid
CID 82329101
3-[cyclooctylcarbamoyl(cyclopropyl)amino]propanoic acid
CID 61181431

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(cyclopentylcarbamoylamino)-2-oxoethyl]-cyclopropylamino]propanoic acid?
The IUPAC name of 3-[[2-(cyclopentylcarbamoylamino)-2-oxoethyl]-cyclopropylamino]propanoic acid (CID 60840718) is 3-[[2-(cyclopentylcarbamoylamino)-2-oxoethyl]-cyclopropylamino]propanoic acid.
What is the SMILES notation for 3-[[2-(cyclopentylcarbamoylamino)-2-oxoethyl]-cyclopropylamino]propanoic acid?
The canonical SMILES for 3-[[2-(cyclopentylcarbamoylamino)-2-oxoethyl]-cyclopropylamino]propanoic acid is O=C(O)CCN(CC(=O)NC(=O)NC1CCCC1)C1CC1.
What is the InChIKey of 3-[[2-(cyclopentylcarbamoylamino)-2-oxoethyl]-cyclopropylamino]propanoic acid?
The InChIKey is RBNYAMXYAJLJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4/c18-12(16-14(21)15-10-3-1-2-4-10)9-17(11-5-6-11)8-7-13(19)20/h10-11H,1-9H2,(H,19,20)(H2,15,16,18,21).
What are the key properties of 3-[[2-(cyclopentylcarbamoylamino)-2-oxoethyl]-cyclopropylamino]propanoic acid?
3-[[2-(cyclopentylcarbamoylamino)-2-oxoethyl]-cyclopropylamino]propanoic acid has a molecular weight of 297.36 g/mol, XLogP of 0.69, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(cyclopentylcarbamoylamino)-2-oxoethyl]-cyclopropylamino]propanoic acid is sourced from PubChem (CID 60840718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).