2-amino-4-[(1-butoxy-1-oxopropan-2-yl)amino]-4-oxobutanoic acid

C11H20N2O5 — CID 134573884

IUPAC2-amino-4-[(1-butoxy-1-oxopropan-2-yl)amino]-4-oxobutanoic acid
SMILESCCCCOC(=O)C(C)NC(=O)CC(N)C(=O)O
InChIInChI=1S/C11H20N2O5/c1-3-4-5-18-11(17)7(2)13-9(14)6-8(12)10(15)16/h7-8H,3-6,12H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyHZGOGHKZDBNOQZ-UHFFFAOYSA-N
MW260.29 g/mol
LogP-0.36
Rot. Bonds8

About 2-amino-4-[(1-butoxy-1-oxopropan-2-yl)amino]-4-oxobutanoic acid

2-amino-4-[(1-butoxy-1-oxopropan-2-yl)amino]-4-oxobutanoic acid (PubChem CID 134573884) has the molecular formula C11H20N2O5 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-amino-4-[(1-butoxy-1-oxopropan-2-yl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name2-amino-4-[(1-butoxy-1-oxopropan-2-yl)amino]-4-oxobutanoic acid
PubChem CID134573884
Molecular FormulaC11H20N2O5
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC Name2-amino-4-[(1-butoxy-1-oxopropan-2-yl)amino]-4-oxobutanoic acid
SMILESCCCCOC(=O)C(C)NC(=O)CC(N)C(=O)O
InChIInChI=1S/C11H20N2O5/c1-3-4-5-18-11(17)7(2)13-9(14)6-8(12)10(15)16/h7-8H,3-6,12H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyHZGOGHKZDBNOQZ-UHFFFAOYSA-N
XLogP-0.36
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 5-0.36
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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Related Compounds

3-amino-4-oxo-4-[(1-oxo-1-pentoxypropan-2-yl)amino]butanoic acid
CID 54369647
pentyl 2-(pentanoylamino)propanoate
CID 6420533
hexyl 2-(pentanoylamino)propanoate
CID 6420522
(2S,8S)-2-amino-10-[[2-[[(2R)-1-butoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-6-ethyl-8-methyl-5,10-dioxodecanoic acid
CID 22845203
(2S,5S)-2-amino-5-(dodecanoylamino)-4-oxohexanoic acid
CID 153371809
heptadecyl (2S)-2-(butoxycarbonylamino)propanoate
CID 20837023
butyl 2-[(2,2,2-trifluoroacetyl)amino]propanoate
CID 520169
3-butoxycarbonyl-2-methylpentanedioic acid
CID 101279056
butyl (2S)-2-amino-4-(tert-butylamino)-4-oxobutanoate
CID 170683257
butyl (2S)-2-benzamidopropanoate
CID 14654754
ethyl 3-[(1-butoxy-1-oxopropan-2-yl)carbamoylamino]-2-methylpropanoate
CID 58929052
20-hydroxyicosyl (2S)-2-(dodecanoylamino)propanoate
CID 175557288

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[(1-butoxy-1-oxopropan-2-yl)amino]-4-oxobutanoic acid?
The IUPAC name of 2-amino-4-[(1-butoxy-1-oxopropan-2-yl)amino]-4-oxobutanoic acid (CID 134573884) is 2-amino-4-[(1-butoxy-1-oxopropan-2-yl)amino]-4-oxobutanoic acid.
What is the SMILES notation for 2-amino-4-[(1-butoxy-1-oxopropan-2-yl)amino]-4-oxobutanoic acid?
The canonical SMILES for 2-amino-4-[(1-butoxy-1-oxopropan-2-yl)amino]-4-oxobutanoic acid is CCCCOC(=O)C(C)NC(=O)CC(N)C(=O)O.
What is the InChIKey of 2-amino-4-[(1-butoxy-1-oxopropan-2-yl)amino]-4-oxobutanoic acid?
The InChIKey is HZGOGHKZDBNOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O5/c1-3-4-5-18-11(17)7(2)13-9(14)6-8(12)10(15)16/h7-8H,3-6,12H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 2-amino-4-[(1-butoxy-1-oxopropan-2-yl)amino]-4-oxobutanoic acid?
2-amino-4-[(1-butoxy-1-oxopropan-2-yl)amino]-4-oxobutanoic acid has a molecular weight of 260.29 g/mol, XLogP of -0.36, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[(1-butoxy-1-oxopropan-2-yl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 134573884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).