2-[[(2R)-2-amino-3-methylbutanoyl]-cyclopentylamino]acetic acid

C12H22N2O3 — CID 79012295

IUPAC2-[[(2R)-2-amino-3-methylbutanoyl]-cyclopentylamino]acetic acid
SMILESCC(C)[C@@H](N)C(=O)N(CC(=O)O)C1CCCC1
InChIInChI=1S/C12H22N2O3/c1-8(2)11(13)12(17)14(7-10(15)16)9-5-3-4-6-9/h8-9,11H,3-7,13H2,1-2H3,(H,15,16)/t11-/m1/s1
InChIKeySEAMNWDBLHLHSR-LLVKDONJSA-N
MW242.32 g/mol
LogP0.83
Rot. Bonds5

About 2-[[(2R)-2-amino-3-methylbutanoyl]-cyclopentylamino]acetic acid

2-[[(2R)-2-amino-3-methylbutanoyl]-cyclopentylamino]acetic acid (PubChem CID 79012295) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[[(2R)-2-amino-3-methylbutanoyl]-cyclopentylamino]acetic acid.

Molecular Properties

Compound Name2-[[(2R)-2-amino-3-methylbutanoyl]-cyclopentylamino]acetic acid
PubChem CID79012295
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-[[(2R)-2-amino-3-methylbutanoyl]-cyclopentylamino]acetic acid
SMILESCC(C)[C@@H](N)C(=O)N(CC(=O)O)C1CCCC1
InChIInChI=1S/C12H22N2O3/c1-8(2)11(13)12(17)14(7-10(15)16)9-5-3-4-6-9/h8-9,11H,3-7,13H2,1-2H3,(H,15,16)/t11-/m1/s1
InChIKeySEAMNWDBLHLHSR-LLVKDONJSA-N
XLogP0.83
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(2R)-2-aminopropanoyl]-cyclopentylamino]acetic acid
CID 78973399
2-[[(2S)-2-aminopropanoyl]-cyclohexylamino]acetic acid
CID 13089672
2-amino-N-cyclopentyl-N-(2-hydroxyethyl)-3-methylbutanamide
CID 60952653
2-amino-N-cyclohexyl-N-ethyl-3-methylbutanamide;hydrochloride
CID 56831854
2-amino-N-cyclobutyl-N-(2-hydroxyethyl)-3-methylbutanamide
CID 102861908
2-amino-N-cyclopentyl-3-methyl-N-prop-2-enylbutanamide
CID 60947968
(2S)-2-amino-N-cyclohexyl-N,3-dimethylbutanamide
CID 61149042
2-[5-aminohexanoyl(cyclopentyl)amino]acetic acid
CID 82851549
(2R)-2-amino-N-cyclopropyl-3-methyl-N-propylbutanamide
CID 79011597
2-[cyclopentyl-[methyl(3-methylbutan-2-yl)carbamoyl]amino]acetic acid
CID 61202141
2-[[2-amino-2-(4-methylphenyl)acetyl]-cyclopentylamino]acetic acid
CID 103868808
(2R)-2-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N,3-dimethylbutanamide
CID 79012366

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-amino-3-methylbutanoyl]-cyclopentylamino]acetic acid?
The IUPAC name of 2-[[(2R)-2-amino-3-methylbutanoyl]-cyclopentylamino]acetic acid (CID 79012295) is 2-[[(2R)-2-amino-3-methylbutanoyl]-cyclopentylamino]acetic acid.
What is the SMILES notation for 2-[[(2R)-2-amino-3-methylbutanoyl]-cyclopentylamino]acetic acid?
The canonical SMILES for 2-[[(2R)-2-amino-3-methylbutanoyl]-cyclopentylamino]acetic acid is CC(C)[C@@H](N)C(=O)N(CC(=O)O)C1CCCC1.
What is the InChIKey of 2-[[(2R)-2-amino-3-methylbutanoyl]-cyclopentylamino]acetic acid?
The InChIKey is SEAMNWDBLHLHSR-LLVKDONJSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-8(2)11(13)12(17)14(7-10(15)16)9-5-3-4-6-9/h8-9,11H,3-7,13H2,1-2H3,(H,15,16)/t11-/m1/s1.
What are the key properties of 2-[[(2R)-2-amino-3-methylbutanoyl]-cyclopentylamino]acetic acid?
2-[[(2R)-2-amino-3-methylbutanoyl]-cyclopentylamino]acetic acid has a molecular weight of 242.32 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-2-amino-3-methylbutanoyl]-cyclopentylamino]acetic acid is sourced from PubChem (CID 79012295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).