(3R)-3-[(2-aminoacetyl)amino]-3-cyclohexylpropanoic acid

C11H20N2O3 — CID 174503463

IUPAC(3R)-3-[(2-aminoacetyl)amino]-3-cyclohexylpropanoic acid
SMILESNCC(=O)N[C@H](CC(=O)O)C1CCCCC1
InChIInChI=1S/C11H20N2O3/c12-7-10(14)13-9(6-11(15)16)8-4-2-1-3-5-8/h8-9H,1-7,12H2,(H,13,14)(H,15,16)/t9-/m1/s1
InChIKeyJWZQXVGDIJJMRI-SECBINFHSA-N
MW228.29 g/mol
LogP0.48
Rot. Bonds5

About (3R)-3-[(2-aminoacetyl)amino]-3-cyclohexylpropanoic acid

(3R)-3-[(2-aminoacetyl)amino]-3-cyclohexylpropanoic acid (PubChem CID 174503463) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is (3R)-3-[(2-aminoacetyl)amino]-3-cyclohexylpropanoic acid.

Molecular Properties

Compound Name(3R)-3-[(2-aminoacetyl)amino]-3-cyclohexylpropanoic acid
PubChem CID174503463
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name(3R)-3-[(2-aminoacetyl)amino]-3-cyclohexylpropanoic acid
SMILESNCC(=O)N[C@H](CC(=O)O)C1CCCCC1
InChIInChI=1S/C11H20N2O3/c12-7-10(14)13-9(6-11(15)16)8-4-2-1-3-5-8/h8-9H,1-7,12H2,(H,13,14)(H,15,16)/t9-/m1/s1
InChIKeyJWZQXVGDIJJMRI-SECBINFHSA-N
XLogP0.48
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(2-aminoacetyl)amino]-3-cyclohexylpropanoic acid?
The IUPAC name of (3R)-3-[(2-aminoacetyl)amino]-3-cyclohexylpropanoic acid (CID 174503463) is (3R)-3-[(2-aminoacetyl)amino]-3-cyclohexylpropanoic acid.
What is the SMILES notation for (3R)-3-[(2-aminoacetyl)amino]-3-cyclohexylpropanoic acid?
The canonical SMILES for (3R)-3-[(2-aminoacetyl)amino]-3-cyclohexylpropanoic acid is NCC(=O)N[C@H](CC(=O)O)C1CCCCC1.
What is the InChIKey of (3R)-3-[(2-aminoacetyl)amino]-3-cyclohexylpropanoic acid?
The InChIKey is JWZQXVGDIJJMRI-SECBINFHSA-N. The full InChI is InChI=1S/C11H20N2O3/c12-7-10(14)13-9(6-11(15)16)8-4-2-1-3-5-8/h8-9H,1-7,12H2,(H,13,14)(H,15,16)/t9-/m1/s1.
What are the key properties of (3R)-3-[(2-aminoacetyl)amino]-3-cyclohexylpropanoic acid?
(3R)-3-[(2-aminoacetyl)amino]-3-cyclohexylpropanoic acid has a molecular weight of 228.29 g/mol, XLogP of 0.48, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(2-aminoacetyl)amino]-3-cyclohexylpropanoic acid is sourced from PubChem (CID 174503463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).