(2S)-5-(carboxymethylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid

C12H22N2O6 — CID 10708612

IUPAC(2S)-5-(carboxymethylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
SMILESCC(C)(C)OC(=O)N[C@@H](CCCNCC(=O)O)C(=O)O
InChIInChI=1S/C12H22N2O6/c1-12(2,3)20-11(19)14-8(10(17)18)5-4-6-13-7-9(15)16/h8,13H,4-7H2,1-3H3,(H,14,19)(H,15,16)(H,17,18)/t8-/m0/s1
InChIKeyRUWJCPNVJKCIAJ-QMMMGPOBSA-N
MW290.32 g/mol
LogP0.42
Rot. Bonds8

About (2S)-5-(carboxymethylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid

(2S)-5-(carboxymethylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid (PubChem CID 10708612) has the molecular formula C12H22N2O6 and a molecular weight of 290.32 g/mol. Its IUPAC name is (2S)-5-(carboxymethylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid.

Molecular Properties

Compound Name(2S)-5-(carboxymethylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
PubChem CID10708612
Molecular FormulaC12H22N2O6
Molecular Weight290.32 g/mol
Exact Mass290.15
IUPAC Name(2S)-5-(carboxymethylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
SMILESCC(C)(C)OC(=O)N[C@@H](CCCNCC(=O)O)C(=O)O
InChIInChI=1S/C12H22N2O6/c1-12(2,3)20-11(19)14-8(10(17)18)5-4-6-13-7-9(15)16/h8,13H,4-7H2,1-3H3,(H,14,19)(H,15,16)(H,17,18)/t8-/m0/s1
InChIKeyRUWJCPNVJKCIAJ-QMMMGPOBSA-N
XLogP0.42
TPSA124.96 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2S)-5-(carboxymethylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-5-(carboxymethylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid?
The IUPAC name of (2S)-5-(carboxymethylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid (CID 10708612) is (2S)-5-(carboxymethylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid.
What is the SMILES notation for (2S)-5-(carboxymethylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid?
The canonical SMILES for (2S)-5-(carboxymethylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid is CC(C)(C)OC(=O)N[C@@H](CCCNCC(=O)O)C(=O)O.
What is the InChIKey of (2S)-5-(carboxymethylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid?
The InChIKey is RUWJCPNVJKCIAJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H22N2O6/c1-12(2,3)20-11(19)14-8(10(17)18)5-4-6-13-7-9(15)16/h8,13H,4-7H2,1-3H3,(H,14,19)(H,15,16)(H,17,18)/t8-/m0/s1.
What are the key properties of (2S)-5-(carboxymethylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid?
(2S)-5-(carboxymethylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid has a molecular weight of 290.32 g/mol, XLogP of 0.42, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-(carboxymethylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid is sourced from PubChem (CID 10708612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).