2-[(2,3-dimethylcyclopentyl)amino]-3-methoxypropanoic acid

C11H21NO3 — CID 103254755

IUPAC2-[(2,3-dimethylcyclopentyl)amino]-3-methoxypropanoic acid
SMILESCOCC(NC1CCC(C)C1C)C(=O)O
InChIInChI=1S/C11H21NO3/c1-7-4-5-9(8(7)2)12-10(6-15-3)11(13)14/h7-10,12H,4-6H2,1-3H3,(H,13,14)
InChIKeyRKIPBIOUAVWBAC-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.11
Rot. Bonds5

About 2-[(2,3-dimethylcyclopentyl)amino]-3-methoxypropanoic acid

2-[(2,3-dimethylcyclopentyl)amino]-3-methoxypropanoic acid (PubChem CID 103254755) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 2-[(2,3-dimethylcyclopentyl)amino]-3-methoxypropanoic acid.

Molecular Properties

Compound Name2-[(2,3-dimethylcyclopentyl)amino]-3-methoxypropanoic acid
PubChem CID103254755
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name2-[(2,3-dimethylcyclopentyl)amino]-3-methoxypropanoic acid
SMILESCOCC(NC1CCC(C)C1C)C(=O)O
InChIInChI=1S/C11H21NO3/c1-7-4-5-9(8(7)2)12-10(6-15-3)11(13)14/h7-10,12H,4-6H2,1-3H3,(H,13,14)
InChIKeyRKIPBIOUAVWBAC-UHFFFAOYSA-N
XLogP1.11
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylamino)-3-methoxypropanoic acid;hydrochloride
CID 75493650
2-[(2-hydroxycyclohexyl)amino]-3-methoxypropanoic acid
CID 103249834
2-[(1,1-dioxothian-4-yl)amino]-3-methoxypropanoic acid
CID 103239254
N-(1-methoxypropan-2-yl)-2,3-dimethylcyclopentan-1-amine
CID 64907132
3-[(2,3-dimethylcyclopentyl)amino]-2-methylbutanoic acid
CID 79396885
2-[(2,2-dimethylcyclopropyl)amino]-3-methoxypropanoic acid
CID 103244093
2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]-3-methoxypropanoic acid
CID 81081091
2-[(2,3-dimethylcyclopentyl)amino]-N-(1-methoxypropan-2-yl)acetamide
CID 64909596
2-amino-N-(2,3-dimethylcyclopentyl)-5-methoxypentanamide
CID 81102327
2-amino-N-(2,3-dimethylcyclohexyl)-3-methoxypropanamide
CID 81082305
2-(cyclopentylmethylamino)-3-methoxypropanoic acid
CID 103237734
2-[(2,3-dimethylcyclohexyl)carbamoylamino]-5-methoxypentanoic acid
CID 81084056

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dimethylcyclopentyl)amino]-3-methoxypropanoic acid?
The IUPAC name of 2-[(2,3-dimethylcyclopentyl)amino]-3-methoxypropanoic acid (CID 103254755) is 2-[(2,3-dimethylcyclopentyl)amino]-3-methoxypropanoic acid.
What is the SMILES notation for 2-[(2,3-dimethylcyclopentyl)amino]-3-methoxypropanoic acid?
The canonical SMILES for 2-[(2,3-dimethylcyclopentyl)amino]-3-methoxypropanoic acid is COCC(NC1CCC(C)C1C)C(=O)O.
What is the InChIKey of 2-[(2,3-dimethylcyclopentyl)amino]-3-methoxypropanoic acid?
The InChIKey is RKIPBIOUAVWBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-7-4-5-9(8(7)2)12-10(6-15-3)11(13)14/h7-10,12H,4-6H2,1-3H3,(H,13,14).
What are the key properties of 2-[(2,3-dimethylcyclopentyl)amino]-3-methoxypropanoic acid?
2-[(2,3-dimethylcyclopentyl)amino]-3-methoxypropanoic acid has a molecular weight of 215.29 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dimethylcyclopentyl)amino]-3-methoxypropanoic acid is sourced from PubChem (CID 103254755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).