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

C10H19NO2 — CID 107411961

IUPAC2-[(3-methylcyclopentyl)methylamino]propanoic acid
SMILESCC1CCC(CNC(C)C(=O)O)C1
InChIInChI=1S/C10H19NO2/c1-7-3-4-9(5-7)6-11-8(2)10(12)13/h7-9,11H,3-6H2,1-2H3,(H,12,13)
InChIKeyRORLYKGMBPZIQS-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.49
Rot. Bonds4

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

2-[(3-methylcyclopentyl)methylamino]propanoic acid (PubChem CID 107411961) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-[(3-methylcyclopentyl)methylamino]propanoic acid.

Molecular Properties

Compound Name2-[(3-methylcyclopentyl)methylamino]propanoic acid
PubChem CID107411961
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name2-[(3-methylcyclopentyl)methylamino]propanoic acid
SMILESCC1CCC(CNC(C)C(=O)O)C1
InChIInChI=1S/C10H19NO2/c1-7-3-4-9(5-7)6-11-8(2)10(12)13/h7-9,11H,3-6H2,1-2H3,(H,12,13)
InChIKeyRORLYKGMBPZIQS-UHFFFAOYSA-N
XLogP1.49
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[(3-methylcyclopentyl)methylcarbamoylamino]propanoic acid
CID 107414492
2-(cyclopentylmethylamino)propanoic acid
CID 61344306
2-[(3-hydroxycyclobutyl)methylamino]propanoic acid
CID 66005490
2-amino-3-[(3-methylcyclopentyl)methylamino]propanoic acid
CID 107414133
2-[(3-methylcyclopentyl)methylamino]acetic acid
CID 107412592
2-methyl-3-[(4-methylcyclohexyl)methylamino]butanoic acid
CID 79398095
2-methyl-3-[(3-methylcyclopentyl)methylcarbamoylamino]butanoic acid
CID 107414476
N-butan-2-yl-2-[(3-methylcyclohexyl)methylamino]propanamide
CID 113226839
(2R)-4-methyl-2-[(3-methylcyclopentyl)methylcarbamoylamino]pentanoic acid
CID 107414550
2-[1-[(3-methylcyclopentyl)methylcarbamoyl]azetidin-3-yl]propanoic acid
CID 107414675
3-[(propan-2-ylamino)methyl]cyclopentane-1-carboxylic acid
CID 105441708
N-methyl-2-[(3-methylcyclopentyl)methylamino]acetamide
CID 107412602

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylcyclopentyl)methylamino]propanoic acid?
The IUPAC name of 2-[(3-methylcyclopentyl)methylamino]propanoic acid (CID 107411961) is 2-[(3-methylcyclopentyl)methylamino]propanoic acid.
What is the SMILES notation for 2-[(3-methylcyclopentyl)methylamino]propanoic acid?
The canonical SMILES for 2-[(3-methylcyclopentyl)methylamino]propanoic acid is CC1CCC(CNC(C)C(=O)O)C1.
What is the InChIKey of 2-[(3-methylcyclopentyl)methylamino]propanoic acid?
The InChIKey is RORLYKGMBPZIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-7-3-4-9(5-7)6-11-8(2)10(12)13/h7-9,11H,3-6H2,1-2H3,(H,12,13).
What are the key properties of 2-[(3-methylcyclopentyl)methylamino]propanoic acid?
2-[(3-methylcyclopentyl)methylamino]propanoic acid has a molecular weight of 185.27 g/mol, XLogP of 1.49, 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]propanoic acid is sourced from PubChem (CID 107411961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).