2-[[(2S)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoyl]amino]acetic acid

C12H21N3O6 — CID 15479681

IUPAC2-[[(2S)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoyl]amino]acetic acid
SMILESCC(C)(C)OC(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)O
InChIInChI=1S/C12H21N3O6/c1-12(2,3)21-11(20)15-7(4-5-8(13)16)10(19)14-6-9(17)18/h7H,4-6H2,1-3H3,(H2,13,16)(H,14,19)(H,15,20)(H,17,18)/t7-/m0/s1
InChIKeyDGSIPTJUXJJZBS-ZETCQYMHSA-N
MW303.32 g/mol
LogP-0.65
Rot. Bonds7

About 2-[[(2S)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoyl]amino]acetic acid

2-[[(2S)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoyl]amino]acetic acid (PubChem CID 15479681) has the molecular formula C12H21N3O6 and a molecular weight of 303.32 g/mol. Its IUPAC name is 2-[[(2S)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[(2S)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoyl]amino]acetic acid
PubChem CID15479681
Molecular FormulaC12H21N3O6
Molecular Weight303.32 g/mol
Exact Mass303.14
IUPAC Name2-[[(2S)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoyl]amino]acetic acid
SMILESCC(C)(C)OC(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)O
InChIInChI=1S/C12H21N3O6/c1-12(2,3)21-11(20)15-7(4-5-8(13)16)10(19)14-6-9(17)18/h7H,4-6H2,1-3H3,(H2,13,16)(H,14,19)(H,15,20)(H,17,18)/t7-/m0/s1
InChIKeyDGSIPTJUXJJZBS-ZETCQYMHSA-N
XLogP-0.65
TPSA147.82 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 5-0.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 2-[[(2S)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoyl]amino]acetic 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 2-[[(2S)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoyl]amino]acetic acid?
The IUPAC name of 2-[[(2S)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoyl]amino]acetic acid (CID 15479681) is 2-[[(2S)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoyl]amino]acetic acid.
What is the SMILES notation for 2-[[(2S)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoyl]amino]acetic acid?
The canonical SMILES for 2-[[(2S)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoyl]amino]acetic acid is CC(C)(C)OC(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)O.
What is the InChIKey of 2-[[(2S)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoyl]amino]acetic acid?
The InChIKey is DGSIPTJUXJJZBS-ZETCQYMHSA-N. The full InChI is InChI=1S/C12H21N3O6/c1-12(2,3)21-11(20)15-7(4-5-8(13)16)10(19)14-6-9(17)18/h7H,4-6H2,1-3H3,(H2,13,16)(H,14,19)(H,15,20)(H,17,18)/t7-/m0/s1.
What are the key properties of 2-[[(2S)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoyl]amino]acetic acid?
2-[[(2S)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoyl]amino]acetic acid has a molecular weight of 303.32 g/mol, XLogP of -0.65, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoyl]amino]acetic acid is sourced from PubChem (CID 15479681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).