(2S)-2-(cyclopentyloxycarbonylamino)-3,3-dimethylbutanoic acid

C12H21NO4 — CID 23595129

IUPAC(2S)-2-(cyclopentyloxycarbonylamino)-3,3-dimethylbutanoic acid
SMILESCC(C)(C)[C@H](NC(=O)OC1CCCC1)C(=O)O
InChIInChI=1S/C12H21NO4/c1-12(2,3)9(10(14)15)13-11(16)17-8-6-4-5-7-8/h8-9H,4-7H2,1-3H3,(H,13,16)(H,14,15)/t9-/m1/s1
InChIKeyVKOXJCPQUQBCAJ-SECBINFHSA-N
MW243.30 g/mol
LogP2.15
Rot. Bonds3

About (2S)-2-(cyclopentyloxycarbonylamino)-3,3-dimethylbutanoic acid

(2S)-2-(cyclopentyloxycarbonylamino)-3,3-dimethylbutanoic acid (PubChem CID 23595129) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is (2S)-2-(cyclopentyloxycarbonylamino)-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name(2S)-2-(cyclopentyloxycarbonylamino)-3,3-dimethylbutanoic acid
PubChem CID23595129
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name(2S)-2-(cyclopentyloxycarbonylamino)-3,3-dimethylbutanoic acid
SMILESCC(C)(C)[C@H](NC(=O)OC1CCCC1)C(=O)O
InChIInChI=1S/C12H21NO4/c1-12(2,3)9(10(14)15)13-11(16)17-8-6-4-5-7-8/h8-9H,4-7H2,1-3H3,(H,13,16)(H,14,15)/t9-/m1/s1
InChIKeyVKOXJCPQUQBCAJ-SECBINFHSA-N
XLogP2.15
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(cyclopentyloxycarbonylamino)-3,3-dimethylbutanoic acid?
The IUPAC name of (2S)-2-(cyclopentyloxycarbonylamino)-3,3-dimethylbutanoic acid (CID 23595129) is (2S)-2-(cyclopentyloxycarbonylamino)-3,3-dimethylbutanoic acid.
What is the SMILES notation for (2S)-2-(cyclopentyloxycarbonylamino)-3,3-dimethylbutanoic acid?
The canonical SMILES for (2S)-2-(cyclopentyloxycarbonylamino)-3,3-dimethylbutanoic acid is CC(C)(C)[C@H](NC(=O)OC1CCCC1)C(=O)O.
What is the InChIKey of (2S)-2-(cyclopentyloxycarbonylamino)-3,3-dimethylbutanoic acid?
The InChIKey is VKOXJCPQUQBCAJ-SECBINFHSA-N. The full InChI is InChI=1S/C12H21NO4/c1-12(2,3)9(10(14)15)13-11(16)17-8-6-4-5-7-8/h8-9H,4-7H2,1-3H3,(H,13,16)(H,14,15)/t9-/m1/s1.
What are the key properties of (2S)-2-(cyclopentyloxycarbonylamino)-3,3-dimethylbutanoic acid?
(2S)-2-(cyclopentyloxycarbonylamino)-3,3-dimethylbutanoic acid has a molecular weight of 243.30 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(cyclopentyloxycarbonylamino)-3,3-dimethylbutanoic acid is sourced from PubChem (CID 23595129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).