(2R)-2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]pentanoic acid

C13H22N2O3 — CID 107567101

IUPAC(2R)-2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]pentanoic acid
SMILESCCC[C@@H](NC(=O)N(CC1CC1)C1CC1)C(=O)O
InChIInChI=1S/C13H22N2O3/c1-2-3-11(12(16)17)14-13(18)15(10-6-7-10)8-9-4-5-9/h9-11H,2-8H2,1H3,(H,14,18)(H,16,17)/t11-/m1/s1
InChIKeyUGGFVDNGKJLVTJ-LLVKDONJSA-N
MW254.33 g/mol
LogP1.82
Rot. Bonds7

About (2R)-2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]pentanoic acid

(2R)-2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]pentanoic acid (PubChem CID 107567101) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is (2R)-2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]pentanoic acid
PubChem CID107567101
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name(2R)-2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]pentanoic acid
SMILESCCC[C@@H](NC(=O)N(CC1CC1)C1CC1)C(=O)O
InChIInChI=1S/C13H22N2O3/c1-2-3-11(12(16)17)14-13(18)15(10-6-7-10)8-9-4-5-9/h9-11H,2-8H2,1H3,(H,14,18)(H,16,17)/t11-/m1/s1
InChIKeyUGGFVDNGKJLVTJ-LLVKDONJSA-N
XLogP1.82
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[cyclopropyl(ethyl)carbamoyl]amino]pentanoic acid
CID 61196558
(2R)-2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]propanoic acid
CID 64522000
(2R)-2-[[cyclobutylmethyl(ethyl)carbamoyl]amino]pentanoic acid
CID 107567865
2-[[cyclopropyl(propyl)carbamoyl]amino]hexanoic acid
CID 61196404
(2R)-2-[[cyclopropyl(propyl)carbamoyl]amino]-4-hydroxybutanoic acid
CID 107826087
2-[[cyclopropyl(propyl)carbamoyl]amino]-4-hydroxybutanoic acid
CID 61228339
(2R)-2-[[cyclobutyl(3-hydroxypropyl)carbamoyl]amino]pentanoic acid
CID 107567792
(2S)-2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]-3-methylpentanoic acid
CID 64520008
(2R)-2-[[cyclopentyl(methyl)carbamoyl]amino]pentanoic acid
CID 107566149
2-[[cycloheptyl(methyl)carbamoyl]amino]pentanoic acid
CID 61201099
2-[(2-cyclopropylacetyl)amino]pentanoic acid
CID 43630437
2-[[butyl(cyclopropyl)carbamoyl]amino]-4-methoxybutanoic acid
CID 55076340

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]pentanoic acid?
The IUPAC name of (2R)-2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]pentanoic acid (CID 107567101) is (2R)-2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]pentanoic acid.
What is the SMILES notation for (2R)-2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]pentanoic acid?
The canonical SMILES for (2R)-2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]pentanoic acid is CCC[C@@H](NC(=O)N(CC1CC1)C1CC1)C(=O)O.
What is the InChIKey of (2R)-2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]pentanoic acid?
The InChIKey is UGGFVDNGKJLVTJ-LLVKDONJSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-2-3-11(12(16)17)14-13(18)15(10-6-7-10)8-9-4-5-9/h9-11H,2-8H2,1H3,(H,14,18)(H,16,17)/t11-/m1/s1.
What are the key properties of (2R)-2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]pentanoic acid?
(2R)-2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]pentanoic acid has a molecular weight of 254.33 g/mol, XLogP of 1.82, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]pentanoic acid is sourced from PubChem (CID 107567101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).