(3S)-6-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxohexanoic acid

C11H20N2O5 — CID 2761810

IUPAC(3S)-6-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxohexanoic acid
SMILESCC(C)(C)OC(=O)N[C@@H](CCC(N)=O)CC(=O)O
InChIInChI=1S/C11H20N2O5/c1-11(2,3)18-10(17)13-7(6-9(15)16)4-5-8(12)14/h7H,4-6H2,1-3H3,(H2,12,14)(H,13,17)(H,15,16)/t7-/m0/s1
InChIKeyDAUHTFNYHSOVRQ-ZETCQYMHSA-N
MW260.29 g/mol
LogP0.62
Rot. Bonds6

About (3S)-6-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxohexanoic acid

(3S)-6-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxohexanoic acid (PubChem CID 2761810) has the molecular formula C11H20N2O5 and a molecular weight of 260.29 g/mol. Its IUPAC name is (3S)-6-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxohexanoic acid.

Molecular Properties

Compound Name(3S)-6-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxohexanoic acid
PubChem CID2761810
Molecular FormulaC11H20N2O5
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC Name(3S)-6-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxohexanoic acid
SMILESCC(C)(C)OC(=O)N[C@@H](CCC(N)=O)CC(=O)O
InChIInChI=1S/C11H20N2O5/c1-11(2,3)18-10(17)13-7(6-9(15)16)4-5-8(12)14/h7H,4-6H2,1-3H3,(H2,12,14)(H,13,17)(H,15,16)/t7-/m0/s1
InChIKeyDAUHTFNYHSOVRQ-ZETCQYMHSA-N
XLogP0.62
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-6-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxohexanoic acid?
The IUPAC name of (3S)-6-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxohexanoic acid (CID 2761810) is (3S)-6-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxohexanoic acid.
What is the SMILES notation for (3S)-6-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxohexanoic acid?
The canonical SMILES for (3S)-6-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxohexanoic acid is CC(C)(C)OC(=O)N[C@@H](CCC(N)=O)CC(=O)O.
What is the InChIKey of (3S)-6-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxohexanoic acid?
The InChIKey is DAUHTFNYHSOVRQ-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H20N2O5/c1-11(2,3)18-10(17)13-7(6-9(15)16)4-5-8(12)14/h7H,4-6H2,1-3H3,(H2,12,14)(H,13,17)(H,15,16)/t7-/m0/s1.
What are the key properties of (3S)-6-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxohexanoic acid?
(3S)-6-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxohexanoic acid has a molecular weight of 260.29 g/mol, XLogP of 0.62, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-6-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxohexanoic acid is sourced from PubChem (CID 2761810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).