2-[[cyclopropyl(propyl)carbamoyl]amino]hexanoic acid

C13H24N2O3 — CID 61196404

IUPAC2-[[cyclopropyl(propyl)carbamoyl]amino]hexanoic acid
SMILESCCCCC(NC(=O)N(CCC)C1CC1)C(=O)O
InChIInChI=1S/C13H24N2O3/c1-3-5-6-11(12(16)17)14-13(18)15(9-4-2)10-7-8-10/h10-11H,3-9H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyDOUIAWFRMGCYRP-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.21
Rot. Bonds8

About 2-[[cyclopropyl(propyl)carbamoyl]amino]hexanoic acid

2-[[cyclopropyl(propyl)carbamoyl]amino]hexanoic acid (PubChem CID 61196404) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[[cyclopropyl(propyl)carbamoyl]amino]hexanoic acid.

Molecular Properties

Compound Name2-[[cyclopropyl(propyl)carbamoyl]amino]hexanoic acid
PubChem CID61196404
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-[[cyclopropyl(propyl)carbamoyl]amino]hexanoic acid
SMILESCCCCC(NC(=O)N(CCC)C1CC1)C(=O)O
InChIInChI=1S/C13H24N2O3/c1-3-5-6-11(12(16)17)14-13(18)15(9-4-2)10-7-8-10/h10-11H,3-9H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyDOUIAWFRMGCYRP-UHFFFAOYSA-N
XLogP2.21
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[[cyclopropyl(propyl)carbamoyl]amino]-4-hydroxybutanoic acid
CID 107826087
2-[[cyclopropyl(propyl)carbamoyl]amino]-4-hydroxybutanoic acid
CID 61228339
2-[[butyl(cyclopropyl)carbamoyl]amino]-4-methoxybutanoic acid
CID 55076340
2-[[cyclopropyl(ethyl)carbamoyl]amino]pentanoic acid
CID 61196558
(2S)-2-(dipropylcarbamoylamino)hexanoic acid
CID 107145276
(2S)-4-amino-2-[[butyl(cyclopropyl)carbamoyl]amino]-4-oxobutanoic acid
CID 63717551
(2R)-2-[[cyclobutyl(3-hydroxypropyl)carbamoyl]amino]pentanoic acid
CID 107567792
(2R)-4-amino-2-[[butyl(cyclopropyl)carbamoyl]amino]-4-oxobutanoic acid
CID 114005491
(2R)-2-[[cyclopropyl(propyl)carbamoyl]amino]propanoic acid
CID 78972118
(2R)-2-[[cyclopropyl(2-hydroxyethyl)carbamoyl]amino]hexanedioic acid
CID 107839207
(2R)-2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]pentanoic acid
CID 107567101
(2R)-2-[[cyclopropyl(3-methylbutyl)carbamoyl]amino]-4-methylpentanoic acid
CID 78976332

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropyl(propyl)carbamoyl]amino]hexanoic acid?
The IUPAC name of 2-[[cyclopropyl(propyl)carbamoyl]amino]hexanoic acid (CID 61196404) is 2-[[cyclopropyl(propyl)carbamoyl]amino]hexanoic acid.
What is the SMILES notation for 2-[[cyclopropyl(propyl)carbamoyl]amino]hexanoic acid?
The canonical SMILES for 2-[[cyclopropyl(propyl)carbamoyl]amino]hexanoic acid is CCCCC(NC(=O)N(CCC)C1CC1)C(=O)O.
What is the InChIKey of 2-[[cyclopropyl(propyl)carbamoyl]amino]hexanoic acid?
The InChIKey is DOUIAWFRMGCYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-3-5-6-11(12(16)17)14-13(18)15(9-4-2)10-7-8-10/h10-11H,3-9H2,1-2H3,(H,14,18)(H,16,17).
What are the key properties of 2-[[cyclopropyl(propyl)carbamoyl]amino]hexanoic acid?
2-[[cyclopropyl(propyl)carbamoyl]amino]hexanoic acid has a molecular weight of 256.35 g/mol, XLogP of 2.21, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropyl(propyl)carbamoyl]amino]hexanoic acid is sourced from PubChem (CID 61196404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).