2-[(3-methylcyclopentyl)methylamino]acetic acid

C9H17NO2 — CID 107412592

IUPAC2-[(3-methylcyclopentyl)methylamino]acetic acid
SMILESCC1CCC(CNCC(=O)O)C1
InChIInChI=1S/C9H17NO2/c1-7-2-3-8(4-7)5-10-6-9(11)12/h7-8,10H,2-6H2,1H3,(H,11,12)
InChIKeyNLHVTIWQAJXXRE-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.10
Rot. Bonds4

About 2-[(3-methylcyclopentyl)methylamino]acetic acid

2-[(3-methylcyclopentyl)methylamino]acetic acid (PubChem CID 107412592) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-[(3-methylcyclopentyl)methylamino]acetic acid.

Molecular Properties

Compound Name2-[(3-methylcyclopentyl)methylamino]acetic acid
PubChem CID107412592
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name2-[(3-methylcyclopentyl)methylamino]acetic acid
SMILESCC1CCC(CNCC(=O)O)C1
InChIInChI=1S/C9H17NO2/c1-7-2-3-8(4-7)5-10-6-9(11)12/h7-8,10H,2-6H2,1H3,(H,11,12)
InChIKeyNLHVTIWQAJXXRE-UHFFFAOYSA-N
XLogP1.10
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-2-[(3-methylcyclopentyl)methylamino]acetamide
CID 107412602
N-butyl-2-[(3-methylcyclopentyl)methylamino]acetamide
CID 107412540
2-amino-3-[(3-methylcyclopentyl)methylamino]propanoic acid
CID 107414133
(3-methylcyclopentyl)methylurea
CID 20542807
N'-hydroxy-2-[(3-methylcyclopentyl)methylamino]ethanimidamide
CID 107413577
2-[(3-methylcyclopentyl)methylamino]propanoic acid
CID 107411961
3-[(3-methylcyclopentyl)methylamino]propanamide
CID 107412716
N-[(3-methylcyclopentyl)methyl]hydroxylamine
CID 58861173
3,3,3-trifluoro-2-[[(3-methylcyclopentyl)methylamino]methyl]propanoic acid
CID 107414113
2-[(3-methylcyclopentyl)methylcarbamoylamino]oxyacetic acid
CID 107414533
2-fluoro-N-[(3-methylcyclopentyl)methyl]ethanamine
CID 107412907
N-[(3-methylcyclopentyl)methyl]butanamide
CID 107415486

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylcyclopentyl)methylamino]acetic acid?
The IUPAC name of 2-[(3-methylcyclopentyl)methylamino]acetic acid (CID 107412592) is 2-[(3-methylcyclopentyl)methylamino]acetic acid.
What is the SMILES notation for 2-[(3-methylcyclopentyl)methylamino]acetic acid?
The canonical SMILES for 2-[(3-methylcyclopentyl)methylamino]acetic acid is CC1CCC(CNCC(=O)O)C1.
What is the InChIKey of 2-[(3-methylcyclopentyl)methylamino]acetic acid?
The InChIKey is NLHVTIWQAJXXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-7-2-3-8(4-7)5-10-6-9(11)12/h7-8,10H,2-6H2,1H3,(H,11,12).
What are the key properties of 2-[(3-methylcyclopentyl)methylamino]acetic acid?
2-[(3-methylcyclopentyl)methylamino]acetic acid has a molecular weight of 171.24 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylcyclopentyl)methylamino]acetic acid is sourced from PubChem (CID 107412592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).