2-(cyclopentylmethylamino)-3-methoxypropanoic acid

C10H19NO3 — CID 103237734

IUPAC2-(cyclopentylmethylamino)-3-methoxypropanoic acid
SMILESCOCC(NCC1CCCC1)C(=O)O
InChIInChI=1S/C10H19NO3/c1-14-7-9(10(12)13)11-6-8-4-2-3-5-8/h8-9,11H,2-7H2,1H3,(H,12,13)
InChIKeyIIPVHCFGNDNEGJ-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.87
Rot. Bonds6

About 2-(cyclopentylmethylamino)-3-methoxypropanoic acid

2-(cyclopentylmethylamino)-3-methoxypropanoic acid (PubChem CID 103237734) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-(cyclopentylmethylamino)-3-methoxypropanoic acid.

Molecular Properties

Compound Name2-(cyclopentylmethylamino)-3-methoxypropanoic acid
PubChem CID103237734
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name2-(cyclopentylmethylamino)-3-methoxypropanoic acid
SMILESCOCC(NCC1CCCC1)C(=O)O
InChIInChI=1S/C10H19NO3/c1-14-7-9(10(12)13)11-6-8-4-2-3-5-8/h8-9,11H,2-7H2,1H3,(H,12,13)
InChIKeyIIPVHCFGNDNEGJ-UHFFFAOYSA-N
XLogP0.87
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-ethylcyclohexyl)methylamino]-3-methoxypropanoic acid
CID 103240705
2-[(2-hydroxycyclohexyl)methylamino]-3-methoxypropanoic acid
CID 103254110
2-(cyclopentylmethylamino)propanoic acid
CID 61344306
(2S)-2-(ethylamino)-3-methoxypropanoic acid
CID 149367077
2-(cycloheptanecarbonylamino)-3-methoxypropanoic acid
CID 81077203
2-(1-cyclopentylethylamino)-3-methoxypropanoic acid
CID 103251911
2-[2-[cyclopropyl(methyl)amino]ethylamino]-3-methoxypropanoic acid
CID 103250208
2-[(2-hydroxycyclohexyl)amino]-3-methoxypropanoic acid
CID 103249834
2-[[2-(cyclopropylmethylamino)acetyl]amino]-3-methoxypropanoic acid
CID 81078544
2-(cyclopropylamino)-3-methoxypropanoic acid;hydrochloride
CID 75493650
2-[(3-hydroxy-2-methylpropyl)amino]-3-methoxypropanoic acid
CID 103253859
2-[(1-hydroxycyclobutyl)methylamino]-3-methoxypropanoic acid
CID 103268359

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethylamino)-3-methoxypropanoic acid?
The IUPAC name of 2-(cyclopentylmethylamino)-3-methoxypropanoic acid (CID 103237734) is 2-(cyclopentylmethylamino)-3-methoxypropanoic acid.
What is the SMILES notation for 2-(cyclopentylmethylamino)-3-methoxypropanoic acid?
The canonical SMILES for 2-(cyclopentylmethylamino)-3-methoxypropanoic acid is COCC(NCC1CCCC1)C(=O)O.
What is the InChIKey of 2-(cyclopentylmethylamino)-3-methoxypropanoic acid?
The InChIKey is IIPVHCFGNDNEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-14-7-9(10(12)13)11-6-8-4-2-3-5-8/h8-9,11H,2-7H2,1H3,(H,12,13).
What are the key properties of 2-(cyclopentylmethylamino)-3-methoxypropanoic acid?
2-(cyclopentylmethylamino)-3-methoxypropanoic acid has a molecular weight of 201.27 g/mol, XLogP of 0.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethylamino)-3-methoxypropanoic acid is sourced from PubChem (CID 103237734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).