(2R)-2-[[cyclobutylmethyl(ethyl)carbamoyl]amino]pentanoic acid

C13H24N2O3 — CID 107567865

IUPAC(2R)-2-[[cyclobutylmethyl(ethyl)carbamoyl]amino]pentanoic acid
SMILESCCC[C@@H](NC(=O)N(CC)CC1CCC1)C(=O)O
InChIInChI=1S/C13H24N2O3/c1-3-6-11(12(16)17)14-13(18)15(4-2)9-10-7-5-8-10/h10-11H,3-9H2,1-2H3,(H,14,18)(H,16,17)/t11-/m1/s1
InChIKeyBMHCFESBHGKPMX-LLVKDONJSA-N
MW256.35 g/mol
LogP2.07
Rot. Bonds7

About (2R)-2-[[cyclobutylmethyl(ethyl)carbamoyl]amino]pentanoic acid

(2R)-2-[[cyclobutylmethyl(ethyl)carbamoyl]amino]pentanoic acid (PubChem CID 107567865) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is (2R)-2-[[cyclobutylmethyl(ethyl)carbamoyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-2-[[cyclobutylmethyl(ethyl)carbamoyl]amino]pentanoic acid
PubChem CID107567865
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name(2R)-2-[[cyclobutylmethyl(ethyl)carbamoyl]amino]pentanoic acid
SMILESCCC[C@@H](NC(=O)N(CC)CC1CCC1)C(=O)O
InChIInChI=1S/C13H24N2O3/c1-3-6-11(12(16)17)14-13(18)15(4-2)9-10-7-5-8-10/h10-11H,3-9H2,1-2H3,(H,14,18)(H,16,17)/t11-/m1/s1
InChIKeyBMHCFESBHGKPMX-LLVKDONJSA-N
XLogP2.07
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[cyclobutylmethyl(ethyl)carbamoyl]amino]-4-methylsulfonylbutanoic acid
CID 107400162
2-[[cyclobutylmethyl(ethyl)carbamoyl]amino]pent-4-enoic acid
CID 107400107
(2R)-4-amino-2-[[cyclopropylmethyl(ethyl)carbamoyl]amino]-4-oxobutanoic acid
CID 114005659
(2S)-4-amino-2-[[cyclopropylmethyl(ethyl)carbamoyl]amino]-4-oxobutanoic acid
CID 63955055
(2R)-2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]pentanoic acid
CID 107567101
(2R)-2-[[cyclopentyl(methyl)carbamoyl]amino]pentanoic acid
CID 107566149
2-[[[cyclobutylmethyl(ethyl)carbamoyl]amino]methyl]butanoic acid
CID 107400099
(2R)-2-[[butyl(ethyl)carbamoyl]amino]pentanoic acid
CID 107565990
2-[[cyclopropyl(ethyl)carbamoyl]amino]pentanoic acid
CID 61196558
2-[[cycloheptyl(methyl)carbamoyl]amino]pentanoic acid
CID 61201099
(2S)-2-[[ethyl(2-methylbutyl)carbamoyl]amino]pentanoic acid
CID 107567246
2-[[cyclopropylmethyl(ethyl)carbamoyl]amino]-3-methylbutanoic acid
CID 63954013

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[cyclobutylmethyl(ethyl)carbamoyl]amino]pentanoic acid?
The IUPAC name of (2R)-2-[[cyclobutylmethyl(ethyl)carbamoyl]amino]pentanoic acid (CID 107567865) is (2R)-2-[[cyclobutylmethyl(ethyl)carbamoyl]amino]pentanoic acid.
What is the SMILES notation for (2R)-2-[[cyclobutylmethyl(ethyl)carbamoyl]amino]pentanoic acid?
The canonical SMILES for (2R)-2-[[cyclobutylmethyl(ethyl)carbamoyl]amino]pentanoic acid is CCC[C@@H](NC(=O)N(CC)CC1CCC1)C(=O)O.
What is the InChIKey of (2R)-2-[[cyclobutylmethyl(ethyl)carbamoyl]amino]pentanoic acid?
The InChIKey is BMHCFESBHGKPMX-LLVKDONJSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-3-6-11(12(16)17)14-13(18)15(4-2)9-10-7-5-8-10/h10-11H,3-9H2,1-2H3,(H,14,18)(H,16,17)/t11-/m1/s1.
What are the key properties of (2R)-2-[[cyclobutylmethyl(ethyl)carbamoyl]amino]pentanoic acid?
(2R)-2-[[cyclobutylmethyl(ethyl)carbamoyl]amino]pentanoic acid has a molecular weight of 256.35 g/mol, XLogP of 2.07, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[cyclobutylmethyl(ethyl)carbamoyl]amino]pentanoic acid is sourced from PubChem (CID 107567865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).