3-[cyclopropyl-[methyl(pentyl)carbamoyl]amino]propanoic acid

C13H24N2O3 — CID 61198345

IUPAC3-[cyclopropyl-[methyl(pentyl)carbamoyl]amino]propanoic acid
SMILESCCCCCN(C)C(=O)N(CCC(=O)O)C1CC1
InChIInChI=1S/C13H24N2O3/c1-3-4-5-9-14(2)13(18)15(11-6-7-11)10-8-12(16)17/h11H,3-10H2,1-2H3,(H,16,17)
InChIKeyQGOGAVPUPPAWSR-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.17
Rot. Bonds8

About 3-[cyclopropyl-[methyl(pentyl)carbamoyl]amino]propanoic acid

3-[cyclopropyl-[methyl(pentyl)carbamoyl]amino]propanoic acid (PubChem CID 61198345) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-[cyclopropyl-[methyl(pentyl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl-[methyl(pentyl)carbamoyl]amino]propanoic acid
PubChem CID61198345
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name3-[cyclopropyl-[methyl(pentyl)carbamoyl]amino]propanoic acid
SMILESCCCCCN(C)C(=O)N(CCC(=O)O)C1CC1
InChIInChI=1S/C13H24N2O3/c1-3-4-5-9-14(2)13(18)15(11-6-7-11)10-8-12(16)17/h11H,3-10H2,1-2H3,(H,16,17)
InChIKeyQGOGAVPUPPAWSR-UHFFFAOYSA-N
XLogP2.17
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[[cyclopropyl(ethyl)carbamoyl]-methylamino]butanoic acid
CID 43264449
3-[cyclopropyl(hexanoyl)amino]propanoic acid
CID 60843685
3-[[butyl(ethyl)carbamoyl]-cyclopropylamino]propanoic acid
CID 61185694
3-[cyclopropyl-[methyl(3-methylbutyl)carbamoyl]amino]propanoic acid
CID 61429269
3-[cyclopropyl(dimethylcarbamoyl)amino]propanoic acid
CID 61196461
3-[[butyl(2-hydroxyethyl)carbamoyl]-cyclopropylamino]propanoic acid
CID 61447426
3-[cyclopropyl-[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]propanoic acid
CID 61455996
3-[cyclopropyl(dodecyl)amino]propanoic acid
CID 62065004
3-[cyclopropyl(diethylcarbamoyl)amino]propanoic acid
CID 61186595
3-[acetyl(cyclopropyl)amino]propanoic acid
CID 60843836
3-[methyl-[methyl-(4-methylcyclohexyl)carbamoyl]amino]propanoic acid
CID 61439567
3-[cyclopropyl(methoxycarbonyl)amino]propanoic acid
CID 60828272

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-[methyl(pentyl)carbamoyl]amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl-[methyl(pentyl)carbamoyl]amino]propanoic acid (CID 61198345) is 3-[cyclopropyl-[methyl(pentyl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl-[methyl(pentyl)carbamoyl]amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl-[methyl(pentyl)carbamoyl]amino]propanoic acid is CCCCCN(C)C(=O)N(CCC(=O)O)C1CC1.
What is the InChIKey of 3-[cyclopropyl-[methyl(pentyl)carbamoyl]amino]propanoic acid?
The InChIKey is QGOGAVPUPPAWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-3-4-5-9-14(2)13(18)15(11-6-7-11)10-8-12(16)17/h11H,3-10H2,1-2H3,(H,16,17).
What are the key properties of 3-[cyclopropyl-[methyl(pentyl)carbamoyl]amino]propanoic acid?
3-[cyclopropyl-[methyl(pentyl)carbamoyl]amino]propanoic acid has a molecular weight of 256.35 g/mol, XLogP of 2.17, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-[methyl(pentyl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 61198345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).