[4-acetamido-5-[(2-amino-2-oxoethyl)amino]-5-oxopentyl]carbamic acid

C10H18N4O5 — CID 138591623

IUPAC[4-acetamido-5-[(2-amino-2-oxoethyl)amino]-5-oxopentyl]carbamic acid
SMILESCC(=O)NC(CCCNC(=O)O)C(=O)NCC(N)=O
InChIInChI=1S/C10H18N4O5/c1-6(15)14-7(3-2-4-12-10(18)19)9(17)13-5-8(11)16/h7,12H,2-5H2,1H3,(H2,11,16)(H,13,17)(H,14,15)(H,18,19)
InChIKeyVTJGRVLXFGEQPZ-UHFFFAOYSA-N
MW274.28 g/mol
LogP-1.86
Rot. Bonds8

About [4-acetamido-5-[(2-amino-2-oxoethyl)amino]-5-oxopentyl]carbamic acid

[4-acetamido-5-[(2-amino-2-oxoethyl)amino]-5-oxopentyl]carbamic acid (PubChem CID 138591623) has the molecular formula C10H18N4O5 and a molecular weight of 274.28 g/mol. Its IUPAC name is [4-acetamido-5-[(2-amino-2-oxoethyl)amino]-5-oxopentyl]carbamic acid.

Molecular Properties

Compound Name[4-acetamido-5-[(2-amino-2-oxoethyl)amino]-5-oxopentyl]carbamic acid
PubChem CID138591623
Molecular FormulaC10H18N4O5
Molecular Weight274.28 g/mol
Exact Mass274.13
IUPAC Name[4-acetamido-5-[(2-amino-2-oxoethyl)amino]-5-oxopentyl]carbamic acid
SMILESCC(=O)NC(CCCNC(=O)O)C(=O)NCC(N)=O
InChIInChI=1S/C10H18N4O5/c1-6(15)14-7(3-2-4-12-10(18)19)9(17)13-5-8(11)16/h7,12H,2-5H2,1H3,(H2,11,16)(H,13,17)(H,14,15)(H,18,19)
InChIKeyVTJGRVLXFGEQPZ-UHFFFAOYSA-N
XLogP-1.86
TPSA150.62 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 5-1.86
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [4-acetamido-5-[(2-amino-2-oxoethyl)amino]-5-oxopentyl]carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(5S)-5-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-6-amino-6-oxohexyl]carbamic acid
CID 138591141
(2S)-2-acetamido-6-amino-N-[(2S)-6-amino-1-(4-aminobutylamino)-1-oxohexan-2-yl]hexanamide
CID 72708054
2,5-diacetamidopentanoic acid
CID 10398396
[1-(2-acetylhydrazinyl)-6-(carboxyamino)-1-oxohexan-2-yl]carbamic acid
CID 138586594
2-acetamido-6-(carbamoylamino)-N-methylhexanamide
CID 177168522
[1-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-5-(carboxyamino)-1-oxopentan-2-yl]carbamic acid
CID 138591868
(2S)-2-acetamido-5-[[(2R)-1-[(2-amino-2-oxoethyl)amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoic acid
CID 25063243
4-[(2-acetamido-3-sulfanylpropanoyl)amino]butanamide
CID 107769156
[3-acetamido-4-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-4-oxobutyl]carbamic acid
CID 138591769
(2S)-2-[[(2R)-2-acetamido-3-sulfanylpropanoyl]amino]-5-[[(2R)-1-[(2-amino-2-oxoethyl)amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoic acid
CID 101429498
(2S)-2-acetamido-5-[[(2R)-1-[[(1S)-4-[[(2R)-1-[[(1S)-4-[[(2R)-1-[[(1S)-4-[[(2R)-1-[(2-amino-2-oxoethyl)amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-1-carboxy-4-oxobutyl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-1-carboxy-4-oxobutyl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-1-carboxy-4-oxobutyl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoic acid
CID 101261258
N-(2-amino-2-oxoethyl)-2,6-bis(methylamino)hexanamide
CID 58661389

Frequently Asked Questions

What is the IUPAC name of [4-acetamido-5-[(2-amino-2-oxoethyl)amino]-5-oxopentyl]carbamic acid?
The IUPAC name of [4-acetamido-5-[(2-amino-2-oxoethyl)amino]-5-oxopentyl]carbamic acid (CID 138591623) is [4-acetamido-5-[(2-amino-2-oxoethyl)amino]-5-oxopentyl]carbamic acid.
What is the SMILES notation for [4-acetamido-5-[(2-amino-2-oxoethyl)amino]-5-oxopentyl]carbamic acid?
The canonical SMILES for [4-acetamido-5-[(2-amino-2-oxoethyl)amino]-5-oxopentyl]carbamic acid is CC(=O)NC(CCCNC(=O)O)C(=O)NCC(N)=O.
What is the InChIKey of [4-acetamido-5-[(2-amino-2-oxoethyl)amino]-5-oxopentyl]carbamic acid?
The InChIKey is VTJGRVLXFGEQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O5/c1-6(15)14-7(3-2-4-12-10(18)19)9(17)13-5-8(11)16/h7,12H,2-5H2,1H3,(H2,11,16)(H,13,17)(H,14,15)(H,18,19).
What are the key properties of [4-acetamido-5-[(2-amino-2-oxoethyl)amino]-5-oxopentyl]carbamic acid?
[4-acetamido-5-[(2-amino-2-oxoethyl)amino]-5-oxopentyl]carbamic acid has a molecular weight of 274.28 g/mol, XLogP of -1.86, 8 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-acetamido-5-[(2-amino-2-oxoethyl)amino]-5-oxopentyl]carbamic acid is sourced from PubChem (CID 138591623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).