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

C10H20N2O2 — CID 107414133

IUPAC2-amino-3-[(3-methylcyclopentyl)methylamino]propanoic acid
SMILESCC1CCC(CNCC(N)C(=O)O)C1
InChIInChI=1S/C10H20N2O2/c1-7-2-3-8(4-7)5-12-6-9(11)10(13)14/h7-9,12H,2-6,11H2,1H3,(H,13,14)
InChIKeyWJOPXCLNOGJTSW-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.42
Rot. Bonds5

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

2-amino-3-[(3-methylcyclopentyl)methylamino]propanoic acid (PubChem CID 107414133) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-amino-3-[(3-methylcyclopentyl)methylamino]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[(3-methylcyclopentyl)methylamino]propanoic acid
PubChem CID107414133
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name2-amino-3-[(3-methylcyclopentyl)methylamino]propanoic acid
SMILESCC1CCC(CNCC(N)C(=O)O)C1
InChIInChI=1S/C10H20N2O2/c1-7-2-3-8(4-7)5-12-6-9(11)10(13)14/h7-9,12H,2-6,11H2,1H3,(H,13,14)
InChIKeyWJOPXCLNOGJTSW-UHFFFAOYSA-N
XLogP0.42
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3,3,3-trifluoro-2-[[(3-methylcyclopentyl)methylamino]methyl]propanoic acid
CID 107414113
2-amino-3-[(3-hydroxycyclobutyl)methylamino]propanoic acid
CID 66007247
2-amino-3-[(1-methylpiperidin-4-yl)methylamino]propanoic acid
CID 64583444
2-[(3-methylcyclopentyl)methylamino]acetic acid
CID 107412592
2-[(3-methylcyclopentyl)methylamino]propanoic acid
CID 107411961
(2S)-2-amino-3-(4-methylcyclohexyl)propanoic acid
CID 59382839
1-[(3-methylcyclopentyl)methylamino]butan-2-ol
CID 107412667
(3-methylcyclopentyl)methylurea
CID 20542807
3-[(3-methylcyclopentyl)methylamino]propanamide
CID 107412716
(2R)-2-[(3-methylcyclopentyl)methylcarbamoylamino]propanoic acid
CID 107414492
2-methoxy-3-[(3-methylcyclopentyl)methylcarbamoylamino]propanoic acid
CID 106110630
N-methyl-2-[(3-methylcyclopentyl)methylamino]acetamide
CID 107412602

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[(3-methylcyclopentyl)methylamino]propanoic acid?
The IUPAC name of 2-amino-3-[(3-methylcyclopentyl)methylamino]propanoic acid (CID 107414133) is 2-amino-3-[(3-methylcyclopentyl)methylamino]propanoic acid.
What is the SMILES notation for 2-amino-3-[(3-methylcyclopentyl)methylamino]propanoic acid?
The canonical SMILES for 2-amino-3-[(3-methylcyclopentyl)methylamino]propanoic acid is CC1CCC(CNCC(N)C(=O)O)C1.
What is the InChIKey of 2-amino-3-[(3-methylcyclopentyl)methylamino]propanoic acid?
The InChIKey is WJOPXCLNOGJTSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-7-2-3-8(4-7)5-12-6-9(11)10(13)14/h7-9,12H,2-6,11H2,1H3,(H,13,14).
What are the key properties of 2-amino-3-[(3-methylcyclopentyl)methylamino]propanoic acid?
2-amino-3-[(3-methylcyclopentyl)methylamino]propanoic acid has a molecular weight of 200.28 g/mol, XLogP of 0.42, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[(3-methylcyclopentyl)methylamino]propanoic acid is sourced from PubChem (CID 107414133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).