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

C15H28N2O6 — CID 7015803

IUPAC(2S)-2,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
SMILESCC(C)(C)OC(=O)NCCC[C@H](NC(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C15H28N2O6/c1-14(2,3)22-12(20)16-9-7-8-10(11(18)19)17-13(21)23-15(4,5)6/h10H,7-9H2,1-6H3,(H,16,20)(H,17,21)(H,18,19)/t10-/m0/s1
InChIKeyRJOJSMIZZYHNQG-JTQLQIEISA-N
MW332.40 g/mol
LogP2.27
Rot. Bonds6

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

(2S)-2,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid (PubChem CID 7015803) has the molecular formula C15H28N2O6 and a molecular weight of 332.40 g/mol. Its IUPAC name is (2S)-2,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid.

Molecular Properties

Compound Name(2S)-2,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
PubChem CID7015803
Molecular FormulaC15H28N2O6
Molecular Weight332.40 g/mol
Exact Mass332.19
IUPAC Name(2S)-2,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
SMILESCC(C)(C)OC(=O)NCCC[C@H](NC(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C15H28N2O6/c1-14(2,3)22-12(20)16-9-7-8-10(11(18)19)17-13(21)23-15(4,5)6/h10H,7-9H2,1-6H3,(H,16,20)(H,17,21)(H,18,19)/t10-/m0/s1
InChIKeyRJOJSMIZZYHNQG-JTQLQIEISA-N
XLogP2.27
TPSA113.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid?
The IUPAC name of (2S)-2,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid (CID 7015803) is (2S)-2,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid.
What is the SMILES notation for (2S)-2,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid?
The canonical SMILES for (2S)-2,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid is CC(C)(C)OC(=O)NCCC[C@H](NC(=O)OC(C)(C)C)C(=O)O.
What is the InChIKey of (2S)-2,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid?
The InChIKey is RJOJSMIZZYHNQG-JTQLQIEISA-N. The full InChI is InChI=1S/C15H28N2O6/c1-14(2,3)22-12(20)16-9-7-8-10(11(18)19)17-13(21)23-15(4,5)6/h10H,7-9H2,1-6H3,(H,16,20)(H,17,21)(H,18,19)/t10-/m0/s1.
What are the key properties of (2S)-2,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid?
(2S)-2,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid has a molecular weight of 332.40 g/mol, XLogP of 2.27, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid is sourced from PubChem (CID 7015803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).