3-amino-2-(cyclopentylmethoxy)propanoic acid

C9H17NO3 — CID 66322940

IUPAC3-amino-2-(cyclopentylmethoxy)propanoic acid
SMILESNCC(OCC1CCCC1)C(=O)O
InChIInChI=1S/C9H17NO3/c10-5-8(9(11)12)13-6-7-3-1-2-4-7/h7-8H,1-6,10H2,(H,11,12)
InChIKeySJDBZISMZDFSRD-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.61
Rot. Bonds5

About 3-amino-2-(cyclopentylmethoxy)propanoic acid

3-amino-2-(cyclopentylmethoxy)propanoic acid (PubChem CID 66322940) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 3-amino-2-(cyclopentylmethoxy)propanoic acid.

Molecular Properties

Compound Name3-amino-2-(cyclopentylmethoxy)propanoic acid
PubChem CID66322940
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name3-amino-2-(cyclopentylmethoxy)propanoic acid
SMILESNCC(OCC1CCCC1)C(=O)O
InChIInChI=1S/C9H17NO3/c10-5-8(9(11)12)13-6-7-3-1-2-4-7/h7-8H,1-6,10H2,(H,11,12)
InChIKeySJDBZISMZDFSRD-UHFFFAOYSA-N
XLogP0.61
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-(cyclohexylmethoxy)propanoic acid
CID 64695056
2-(cyclopentylmethoxy)butanoic acid
CID 66324485
2-(cyclopentylmethoxy)propanoic acid
CID 66322360
methyl (2R)-2-(cycloheptylmethoxy)-4-methylpentanoate
CID 114282489
(2S)-3-(4-bromophenyl)-2-(cyclopropylmethoxy)propanoic acid
CID 68527920
cyclohexylmethyl 2-(aminomethyl)butanoate
CID 65218100
2-(cyclopentylmethoxy)propanehydrazide
CID 66321450
(2S)-2-amino-4-(cyclobutylmethoxy)butanoic acid
CID 165445623
bis(cyclopentylmethyl) 2-methylpropanedioate
CID 174545990
cyclopentylmethyl 2-methylpropanoate
CID 21063892
2-(cyclobutylmethoxy)propanamide
CID 164935394
2-(cyclopentylmethoxy)-3,3-dimethylbutan-1-amine
CID 66323011

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(cyclopentylmethoxy)propanoic acid?
The IUPAC name of 3-amino-2-(cyclopentylmethoxy)propanoic acid (CID 66322940) is 3-amino-2-(cyclopentylmethoxy)propanoic acid.
What is the SMILES notation for 3-amino-2-(cyclopentylmethoxy)propanoic acid?
The canonical SMILES for 3-amino-2-(cyclopentylmethoxy)propanoic acid is NCC(OCC1CCCC1)C(=O)O.
What is the InChIKey of 3-amino-2-(cyclopentylmethoxy)propanoic acid?
The InChIKey is SJDBZISMZDFSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c10-5-8(9(11)12)13-6-7-3-1-2-4-7/h7-8H,1-6,10H2,(H,11,12).
What are the key properties of 3-amino-2-(cyclopentylmethoxy)propanoic acid?
3-amino-2-(cyclopentylmethoxy)propanoic acid has a molecular weight of 187.24 g/mol, XLogP of 0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(cyclopentylmethoxy)propanoic acid is sourced from PubChem (CID 66322940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).