(4S)-5-amino-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid

C10H18N2O5 — CID 2734757

IUPAC(4S)-5-amino-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid
SMILESCC(C)(C)OC(=O)N[C@@H](CCC(=O)O)C(N)=O
InChIInChI=1S/C10H18N2O5/c1-10(2,3)17-9(16)12-6(8(11)15)4-5-7(13)14/h6H,4-5H2,1-3H3,(H2,11,15)(H,12,16)(H,13,14)/t6-/m0/s1
InChIKeyGMZBDBBBJXGPIH-LURJTMIESA-N
MW246.26 g/mol
LogP0.23
Rot. Bonds5

About (4S)-5-amino-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid

(4S)-5-amino-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid (PubChem CID 2734757) has the molecular formula C10H18N2O5 and a molecular weight of 246.26 g/mol. Its IUPAC name is (4S)-5-amino-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(4S)-5-amino-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid
PubChem CID2734757
Molecular FormulaC10H18N2O5
Molecular Weight246.26 g/mol
Exact Mass246.12
IUPAC Name(4S)-5-amino-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid
SMILESCC(C)(C)OC(=O)N[C@@H](CCC(=O)O)C(N)=O
InChIInChI=1S/C10H18N2O5/c1-10(2,3)17-9(16)12-6(8(11)15)4-5-7(13)14/h6H,4-5H2,1-3H3,(H2,11,15)(H,12,16)(H,13,14)/t6-/m0/s1
InChIKeyGMZBDBBBJXGPIH-LURJTMIESA-N
XLogP0.23
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-{[(Tert-butoxy)carbonyl]amino}-4-carbamoylbutanoic acid
CID 433635
(2S)-2-{[(tert-butoxy)carbonyl]amino}pentanedioic acid
CID 2724758
L-Glutamine, N2-((1,1-dimethylethoxy)carbonyl)-
CID 83687
Glutamyl-valyl-glycine
CID 121513936
L-glutamyl-L-valine
CID 6992567
2-{[(Tert-butoxy)carbonyl]amino}pentanedioic acid
CID 433622
(2S)-2-amino-5-(((tert-butoxy)carbonyl)amino)pentanoic acid
CID 6993436
(2S)-5-amino-2-{[(tert-butoxy)carbonyl]amino}pentanoic acid
CID 7018784
(2R)-2-{[(tert-butoxy)carbonyl]amino}pentanedioic acid
CID 7019046
Glutamylvaline
CID 433630
L-Alanyl-D-Alpha-Glutamine
CID 7019962
(2S)-5-amino-2-(butoxycarbonylamino)-5-oxopentanoic acid
CID 44347597

Frequently Asked Questions

What is the IUPAC name of (4S)-5-amino-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid?
The IUPAC name of (4S)-5-amino-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid (CID 2734757) is (4S)-5-amino-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid.
What is the SMILES notation for (4S)-5-amino-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid?
The canonical SMILES for (4S)-5-amino-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid is CC(C)(C)OC(=O)N[C@@H](CCC(=O)O)C(N)=O.
What is the InChIKey of (4S)-5-amino-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid?
The InChIKey is GMZBDBBBJXGPIH-LURJTMIESA-N. The full InChI is InChI=1S/C10H18N2O5/c1-10(2,3)17-9(16)12-6(8(11)15)4-5-7(13)14/h6H,4-5H2,1-3H3,(H2,11,15)(H,12,16)(H,13,14)/t6-/m0/s1.
What are the key properties of (4S)-5-amino-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid?
(4S)-5-amino-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid has a molecular weight of 246.26 g/mol, XLogP of 0.23, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-5-amino-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid is sourced from PubChem (CID 2734757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).