2-[(2-hydroxycyclopentyl)amino]-3-methylbutanoic acid

C10H19NO3 — CID 60885870

IUPAC2-[(2-hydroxycyclopentyl)amino]-3-methylbutanoic acid
SMILESCC(C)C(NC1CCCC1O)C(=O)O
InChIInChI=1S/C10H19NO3/c1-6(2)9(10(13)14)11-7-4-3-5-8(7)12/h6-9,11-12H,3-5H2,1-2H3,(H,13,14)
InChIKeyPFSCTGCJSNNEMI-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.60
Rot. Bonds4

About 2-[(2-hydroxycyclopentyl)amino]-3-methylbutanoic acid

2-[(2-hydroxycyclopentyl)amino]-3-methylbutanoic acid (PubChem CID 60885870) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-[(2-hydroxycyclopentyl)amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name2-[(2-hydroxycyclopentyl)amino]-3-methylbutanoic acid
PubChem CID60885870
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name2-[(2-hydroxycyclopentyl)amino]-3-methylbutanoic acid
SMILESCC(C)C(NC1CCCC1O)C(=O)O
InChIInChI=1S/C10H19NO3/c1-6(2)9(10(13)14)11-7-4-3-5-8(7)12/h6-9,11-12H,3-5H2,1-2H3,(H,13,14)
InChIKeyPFSCTGCJSNNEMI-UHFFFAOYSA-N
XLogP0.60
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxycyclopentyl)amino]-3-methylbutanoic acid?
The IUPAC name of 2-[(2-hydroxycyclopentyl)amino]-3-methylbutanoic acid (CID 60885870) is 2-[(2-hydroxycyclopentyl)amino]-3-methylbutanoic acid.
What is the SMILES notation for 2-[(2-hydroxycyclopentyl)amino]-3-methylbutanoic acid?
The canonical SMILES for 2-[(2-hydroxycyclopentyl)amino]-3-methylbutanoic acid is CC(C)C(NC1CCCC1O)C(=O)O.
What is the InChIKey of 2-[(2-hydroxycyclopentyl)amino]-3-methylbutanoic acid?
The InChIKey is PFSCTGCJSNNEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-6(2)9(10(13)14)11-7-4-3-5-8(7)12/h6-9,11-12H,3-5H2,1-2H3,(H,13,14).
What are the key properties of 2-[(2-hydroxycyclopentyl)amino]-3-methylbutanoic acid?
2-[(2-hydroxycyclopentyl)amino]-3-methylbutanoic acid has a molecular weight of 201.27 g/mol, XLogP of 0.60, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxycyclopentyl)amino]-3-methylbutanoic acid is sourced from PubChem (CID 60885870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).