2-amino-3-[(2,3-dimethylcyclopentyl)amino]propanoic acid

C10H20N2O2 — CID 64922286

IUPAC2-amino-3-[(2,3-dimethylcyclopentyl)amino]propanoic acid
SMILESCC1CCC(NCC(N)C(=O)O)C1C
InChIInChI=1S/C10H20N2O2/c1-6-3-4-9(7(6)2)12-5-8(11)10(13)14/h6-9,12H,3-5,11H2,1-2H3,(H,13,14)
InChIKeyZRIFXOATSRAIHJ-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.42
Rot. Bonds4

About 2-amino-3-[(2,3-dimethylcyclopentyl)amino]propanoic acid

2-amino-3-[(2,3-dimethylcyclopentyl)amino]propanoic acid (PubChem CID 64922286) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-amino-3-[(2,3-dimethylcyclopentyl)amino]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[(2,3-dimethylcyclopentyl)amino]propanoic acid
PubChem CID64922286
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name2-amino-3-[(2,3-dimethylcyclopentyl)amino]propanoic acid
SMILESCC1CCC(NCC(N)C(=O)O)C1C
InChIInChI=1S/C10H20N2O2/c1-6-3-4-9(7(6)2)12-5-8(11)10(13)14/h6-9,12H,3-5,11H2,1-2H3,(H,13,14)
InChIKeyZRIFXOATSRAIHJ-UHFFFAOYSA-N
XLogP0.42
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[(2,3-dimethylcyclopentyl)amino]propanoic acid?
The IUPAC name of 2-amino-3-[(2,3-dimethylcyclopentyl)amino]propanoic acid (CID 64922286) is 2-amino-3-[(2,3-dimethylcyclopentyl)amino]propanoic acid.
What is the SMILES notation for 2-amino-3-[(2,3-dimethylcyclopentyl)amino]propanoic acid?
The canonical SMILES for 2-amino-3-[(2,3-dimethylcyclopentyl)amino]propanoic acid is CC1CCC(NCC(N)C(=O)O)C1C.
What is the InChIKey of 2-amino-3-[(2,3-dimethylcyclopentyl)amino]propanoic acid?
The InChIKey is ZRIFXOATSRAIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-6-3-4-9(7(6)2)12-5-8(11)10(13)14/h6-9,12H,3-5,11H2,1-2H3,(H,13,14).
What are the key properties of 2-amino-3-[(2,3-dimethylcyclopentyl)amino]propanoic acid?
2-amino-3-[(2,3-dimethylcyclopentyl)amino]propanoic acid has a molecular weight of 200.28 g/mol, XLogP of 0.42, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[(2,3-dimethylcyclopentyl)amino]propanoic acid is sourced from PubChem (CID 64922286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).