2-[[(2S)-6-amino-1-[(2-methoxy-2-oxoethyl)amino]-1-oxohexan-2-yl]amino]-2-oxoacetic acid

C11H19N3O6 — CID 46863110

IUPAC2-[[(2S)-6-amino-1-[(2-methoxy-2-oxoethyl)amino]-1-oxohexan-2-yl]amino]-2-oxoacetic acid
SMILESCOC(=O)CNC(=O)[C@H](CCCCN)NC(=O)C(=O)O
InChIInChI=1S/C11H19N3O6/c1-20-8(15)6-13-9(16)7(4-2-3-5-12)14-10(17)11(18)19/h7H,2-6,12H2,1H3,(H,13,16)(H,14,17)(H,18,19)/t7-/m0/s1
InChIKeyILELECHCMZSJKX-ZETCQYMHSA-N
MW289.29 g/mol
LogP-2.03
Rot. Bonds8

About 2-[[(2S)-6-amino-1-[(2-methoxy-2-oxoethyl)amino]-1-oxohexan-2-yl]amino]-2-oxoacetic acid

2-[[(2S)-6-amino-1-[(2-methoxy-2-oxoethyl)amino]-1-oxohexan-2-yl]amino]-2-oxoacetic acid (PubChem CID 46863110) has the molecular formula C11H19N3O6 and a molecular weight of 289.29 g/mol. Its IUPAC name is 2-[[(2S)-6-amino-1-[(2-methoxy-2-oxoethyl)amino]-1-oxohexan-2-yl]amino]-2-oxoacetic acid.

Molecular Properties

Compound Name2-[[(2S)-6-amino-1-[(2-methoxy-2-oxoethyl)amino]-1-oxohexan-2-yl]amino]-2-oxoacetic acid
PubChem CID46863110
Molecular FormulaC11H19N3O6
Molecular Weight289.29 g/mol
Exact Mass289.13
IUPAC Name2-[[(2S)-6-amino-1-[(2-methoxy-2-oxoethyl)amino]-1-oxohexan-2-yl]amino]-2-oxoacetic acid
SMILESCOC(=O)CNC(=O)[C@H](CCCCN)NC(=O)C(=O)O
InChIInChI=1S/C11H19N3O6/c1-20-8(15)6-13-9(16)7(4-2-3-5-12)14-10(17)11(18)19/h7H,2-6,12H2,1H3,(H,13,16)(H,14,17)(H,18,19)/t7-/m0/s1
InChIKeyILELECHCMZSJKX-ZETCQYMHSA-N
XLogP-2.03
TPSA147.82 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 5-2.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[[(2S)-6-amino-1-[(2-methoxy-2-oxoethyl)amino]-1-oxohexan-2-yl]amino]-2-oxoacetic acid with MolForge

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Launch Full Analysis

Related Compounds

methyl 2-[[(2S)-6-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]acetate
CID 54307119
2-[[6-amino-2-[(2-amino-3-methylbutanoyl)amino]hexanoyl]amino]acetic acid
CID 18232429
(3S)-3-acetamido-4-[[(2S)-6-amino-1-[(4-methoxy-4-oxobutyl)amino]-1-oxohexan-2-yl]amino]-4-oxobutanoic acid
CID 134817017
2-[[6-amino-2-[[2-(2-aminopropanoylamino)-3-hydroxypropanoyl]amino]hexanoyl]amino]acetic acid
CID 18238756
(2S)-6-amino-2-[[2-[[(2S)-6-amino-2-[[2-[[(2S)-2,6-diaminohexanoyl]amino]acetyl]amino]hexanoyl]amino]acetyl]amino]hexanoic acid
CID 134826235
2-[[2-[[(2S)-1-[(2-methoxy-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-2-oxoacetic acid
CID 46863223
6-amino-2-(2-oxopropanoylamino)hexanoic acid
CID 87246065
3-[[6-amino-2-[(2-amino-3-methylpentanoyl)amino]hexanoyl]amino]-4-(carboxymethylamino)-4-oxobutanoic acid
CID 18295867
2-[[2-[[6-amino-2-[(2-aminoacetyl)amino]hexanoyl]amino]acetyl]amino]-4-methylpentanoic acid
CID 18489219
(2S)-2-acetamido-6-amino-N-[(2S)-6-amino-1-(4-aminobutylamino)-1-oxohexan-2-yl]hexanamide
CID 72708054
(2S)-6-amino-2-[[2-[[(2S)-2-aminopropanoyl]amino]acetyl]amino]hexanoic acid
CID 14299171
4-[[6-amino-1-(carboxymethylamino)-1-oxohexan-2-yl]amino]-3-[(2-amino-4-methylsulfanylbutanoyl)amino]-4-oxobutanoic acid
CID 18311666

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-6-amino-1-[(2-methoxy-2-oxoethyl)amino]-1-oxohexan-2-yl]amino]-2-oxoacetic acid?
The IUPAC name of 2-[[(2S)-6-amino-1-[(2-methoxy-2-oxoethyl)amino]-1-oxohexan-2-yl]amino]-2-oxoacetic acid (CID 46863110) is 2-[[(2S)-6-amino-1-[(2-methoxy-2-oxoethyl)amino]-1-oxohexan-2-yl]amino]-2-oxoacetic acid.
What is the SMILES notation for 2-[[(2S)-6-amino-1-[(2-methoxy-2-oxoethyl)amino]-1-oxohexan-2-yl]amino]-2-oxoacetic acid?
The canonical SMILES for 2-[[(2S)-6-amino-1-[(2-methoxy-2-oxoethyl)amino]-1-oxohexan-2-yl]amino]-2-oxoacetic acid is COC(=O)CNC(=O)[C@H](CCCCN)NC(=O)C(=O)O.
What is the InChIKey of 2-[[(2S)-6-amino-1-[(2-methoxy-2-oxoethyl)amino]-1-oxohexan-2-yl]amino]-2-oxoacetic acid?
The InChIKey is ILELECHCMZSJKX-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H19N3O6/c1-20-8(15)6-13-9(16)7(4-2-3-5-12)14-10(17)11(18)19/h7H,2-6,12H2,1H3,(H,13,16)(H,14,17)(H,18,19)/t7-/m0/s1.
What are the key properties of 2-[[(2S)-6-amino-1-[(2-methoxy-2-oxoethyl)amino]-1-oxohexan-2-yl]amino]-2-oxoacetic acid?
2-[[(2S)-6-amino-1-[(2-methoxy-2-oxoethyl)amino]-1-oxohexan-2-yl]amino]-2-oxoacetic acid has a molecular weight of 289.29 g/mol, XLogP of -2.03, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-6-amino-1-[(2-methoxy-2-oxoethyl)amino]-1-oxohexan-2-yl]amino]-2-oxoacetic acid is sourced from PubChem (CID 46863110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).