(2S)-2,4-bis[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid

C14H26N2O6 — CID 7015751

IUPAC(2S)-2,4-bis[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
SMILESCC(C)(C)OC(=O)NCC[C@H](NC(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C14H26N2O6/c1-13(2,3)21-11(19)15-8-7-9(10(17)18)16-12(20)22-14(4,5)6/h9H,7-8H2,1-6H3,(H,15,19)(H,16,20)(H,17,18)/t9-/m0/s1
InChIKeyJIYZOHCBABALOE-VIFPVBQESA-N
MW318.37 g/mol
LogP1.88
Rot. Bonds5

About (2S)-2,4-bis[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid

(2S)-2,4-bis[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid (PubChem CID 7015751) has the molecular formula C14H26N2O6 and a molecular weight of 318.37 g/mol. Its IUPAC name is (2S)-2,4-bis[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid.

Molecular Properties

Compound Name(2S)-2,4-bis[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
PubChem CID7015751
Molecular FormulaC14H26N2O6
Molecular Weight318.37 g/mol
Exact Mass318.18
IUPAC Name(2S)-2,4-bis[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
SMILESCC(C)(C)OC(=O)NCC[C@H](NC(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C14H26N2O6/c1-13(2,3)21-11(19)15-8-7-9(10(17)18)16-12(20)22-14(4,5)6/h9H,7-8H2,1-6H3,(H,15,19)(H,16,20)(H,17,18)/t9-/m0/s1
InChIKeyJIYZOHCBABALOE-VIFPVBQESA-N
XLogP1.88
TPSA113.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S)-2,4-bis[(2-methylpropan-2-yl)oxycarbonylamino]butanoic 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)-2,4-bis[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid?
The IUPAC name of (2S)-2,4-bis[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid (CID 7015751) is (2S)-2,4-bis[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid.
What is the SMILES notation for (2S)-2,4-bis[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid?
The canonical SMILES for (2S)-2,4-bis[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid is CC(C)(C)OC(=O)NCC[C@H](NC(=O)OC(C)(C)C)C(=O)O.
What is the InChIKey of (2S)-2,4-bis[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid?
The InChIKey is JIYZOHCBABALOE-VIFPVBQESA-N. The full InChI is InChI=1S/C14H26N2O6/c1-13(2,3)21-11(19)15-8-7-9(10(17)18)16-12(20)22-14(4,5)6/h9H,7-8H2,1-6H3,(H,15,19)(H,16,20)(H,17,18)/t9-/m0/s1.
What are the key properties of (2S)-2,4-bis[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid?
(2S)-2,4-bis[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid has a molecular weight of 318.37 g/mol, XLogP of 1.88, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,4-bis[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid is sourced from PubChem (CID 7015751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).