2-(2-acetamidopropanoylamino)ethylcarbamic acid

C8H15N3O4 — CID 19805667

IUPAC2-(2-acetamidopropanoylamino)ethylcarbamic acid
SMILESCC(=O)NC(C)C(=O)NCCNC(=O)O
InChIInChI=1S/C8H15N3O4/c1-5(11-6(2)12)7(13)9-3-4-10-8(14)15/h5,10H,3-4H2,1-2H3,(H,9,13)(H,11,12)(H,14,15)
InChIKeyZOVYPBIXTYUQFT-UHFFFAOYSA-N
MW217.22 g/mol
LogP-1.11
Rot. Bonds5

About 2-(2-acetamidopropanoylamino)ethylcarbamic acid

2-(2-acetamidopropanoylamino)ethylcarbamic acid (PubChem CID 19805667) has the molecular formula C8H15N3O4 and a molecular weight of 217.22 g/mol. Its IUPAC name is 2-(2-acetamidopropanoylamino)ethylcarbamic acid.

Molecular Properties

Compound Name2-(2-acetamidopropanoylamino)ethylcarbamic acid
PubChem CID19805667
Molecular FormulaC8H15N3O4
Molecular Weight217.22 g/mol
Exact Mass217.11
IUPAC Name2-(2-acetamidopropanoylamino)ethylcarbamic acid
SMILESCC(=O)NC(C)C(=O)NCCNC(=O)O
InChIInChI=1S/C8H15N3O4/c1-5(11-6(2)12)7(13)9-3-4-10-8(14)15/h5,10H,3-4H2,1-2H3,(H,9,13)(H,11,12)(H,14,15)
InChIKeyZOVYPBIXTYUQFT-UHFFFAOYSA-N
XLogP-1.11
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 5-1.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-acetamido-N-(2-fluoroethyl)propanamide
CID 91190233
(2S)-2-acetamido-N-[(2S)-1-oxo-1-(2-sulfanylethylamino)propan-2-yl]propanamide
CID 102305580
2-acetamido-N-(4-methylpentyl)propanamide
CID 134023295
(2S)-2-[[(2S)-2-acetamidopropanoyl]amino]propanoic acid
CID 5488264
2-acetamido-N-(2-hydroxypropyl)propanamide
CID 43392742
2-[[2-[[2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamidopropanoyl]amino]propanoyl]amino]propanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid
CID 101151663
(2S)-2-[[(2R)-2-[[(2S)-2-[[2-[[(2S)-2-acetamidopropanoyl]amino]acetyl]amino]propanoyl]amino]propanoyl]amino]propanoic acid
CID 71351346
(2S)-2-acetamido-N-(2-phenylethyl)propanamide
CID 51647688
2-acetamido-N-(4,4-dimethylpentyl)propanamide
CID 162466533
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamidopropanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoic acid
CID 101176077
(2S)-2-acetamido-N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]propanamide
CID 167024593
(2S)-2-acetamido-N-[(2S)-1-[[(2S)-1-[[(2S)-1-(methylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide
CID 71361060

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetamidopropanoylamino)ethylcarbamic acid?
The IUPAC name of 2-(2-acetamidopropanoylamino)ethylcarbamic acid (CID 19805667) is 2-(2-acetamidopropanoylamino)ethylcarbamic acid.
What is the SMILES notation for 2-(2-acetamidopropanoylamino)ethylcarbamic acid?
The canonical SMILES for 2-(2-acetamidopropanoylamino)ethylcarbamic acid is CC(=O)NC(C)C(=O)NCCNC(=O)O.
What is the InChIKey of 2-(2-acetamidopropanoylamino)ethylcarbamic acid?
The InChIKey is ZOVYPBIXTYUQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O4/c1-5(11-6(2)12)7(13)9-3-4-10-8(14)15/h5,10H,3-4H2,1-2H3,(H,9,13)(H,11,12)(H,14,15).
What are the key properties of 2-(2-acetamidopropanoylamino)ethylcarbamic acid?
2-(2-acetamidopropanoylamino)ethylcarbamic acid has a molecular weight of 217.22 g/mol, XLogP of -1.11, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetamidopropanoylamino)ethylcarbamic acid is sourced from PubChem (CID 19805667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).