2-[(2-methoxycyclopentyl)amino]-2,4-dimethylpentanoic acid

C13H25NO3 — CID 115001183

IUPAC2-[(2-methoxycyclopentyl)amino]-2,4-dimethylpentanoic acid
SMILESCOC1CCCC1NC(C)(CC(C)C)C(=O)O
InChIInChI=1S/C13H25NO3/c1-9(2)8-13(3,12(15)16)14-10-6-5-7-11(10)17-4/h9-11,14H,5-8H2,1-4H3,(H,15,16)
InChIKeyGRGNSCGWQHYBFY-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.03
Rot. Bonds6

About 2-[(2-methoxycyclopentyl)amino]-2,4-dimethylpentanoic acid

2-[(2-methoxycyclopentyl)amino]-2,4-dimethylpentanoic acid (PubChem CID 115001183) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-[(2-methoxycyclopentyl)amino]-2,4-dimethylpentanoic acid.

Molecular Properties

Compound Name2-[(2-methoxycyclopentyl)amino]-2,4-dimethylpentanoic acid
PubChem CID115001183
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name2-[(2-methoxycyclopentyl)amino]-2,4-dimethylpentanoic acid
SMILESCOC1CCCC1NC(C)(CC(C)C)C(=O)O
InChIInChI=1S/C13H25NO3/c1-9(2)8-13(3,12(15)16)14-10-6-5-7-11(10)17-4/h9-11,14H,5-8H2,1-4H3,(H,15,16)
InChIKeyGRGNSCGWQHYBFY-UHFFFAOYSA-N
XLogP2.03
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-[(2-methoxycyclopentyl)amino]propanamide
CID 62086267
cis-(1R,2S)-2-methoxy-N-propan-2-ylcyclopentan-1-amine
CID 94347863
2-methoxy-N-propan-2-ylcyclopentan-1-amine
CID 62088372
cis-(1S,2R)-2-methoxy-N-(2-methylpropyl)cyclopentan-1-amine
CID 176752788
N-[(1R,2R)-2-methoxycyclopentyl]-2-methylpropanamide
CID 130650913
2-[(2-methoxycyclopentyl)amino]-N-propan-2-ylpropanamide
CID 62088226
2-hydroxy-N-[(1R,2R)-2-methoxycyclopentyl]propanamide
CID 130831737
N-butan-2-yl-2-methoxycyclopentan-1-amine
CID 62089078
2,4-dimethyl-2-[1-(oxolan-2-yl)ethylamino]pentanoic acid
CID 114994031
N-(2-methoxycyclopentyl)-2-propan-2-yloxyacetamide
CID 112699101
2-amino-N-(2-methoxycyclopentyl)-3,3-dimethylbutanamide
CID 76934435
N-(3,3-dimethyl-1-phenylbutyl)-2-methoxycyclopentan-1-amine
CID 62087135

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxycyclopentyl)amino]-2,4-dimethylpentanoic acid?
The IUPAC name of 2-[(2-methoxycyclopentyl)amino]-2,4-dimethylpentanoic acid (CID 115001183) is 2-[(2-methoxycyclopentyl)amino]-2,4-dimethylpentanoic acid.
What is the SMILES notation for 2-[(2-methoxycyclopentyl)amino]-2,4-dimethylpentanoic acid?
The canonical SMILES for 2-[(2-methoxycyclopentyl)amino]-2,4-dimethylpentanoic acid is COC1CCCC1NC(C)(CC(C)C)C(=O)O.
What is the InChIKey of 2-[(2-methoxycyclopentyl)amino]-2,4-dimethylpentanoic acid?
The InChIKey is GRGNSCGWQHYBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-9(2)8-13(3,12(15)16)14-10-6-5-7-11(10)17-4/h9-11,14H,5-8H2,1-4H3,(H,15,16).
What are the key properties of 2-[(2-methoxycyclopentyl)amino]-2,4-dimethylpentanoic acid?
2-[(2-methoxycyclopentyl)amino]-2,4-dimethylpentanoic acid has a molecular weight of 243.35 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxycyclopentyl)amino]-2,4-dimethylpentanoic acid is sourced from PubChem (CID 115001183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).