2-(3-acetamidopropanoylamino)ethylcarbamic acid

C8H15N3O4 — CID 19805641

IUPAC2-(3-acetamidopropanoylamino)ethylcarbamic acid
SMILESCC(=O)NCCC(=O)NCCNC(=O)O
InChIInChI=1S/C8H15N3O4/c1-6(12)9-3-2-7(13)10-4-5-11-8(14)15/h11H,2-5H2,1H3,(H,9,12)(H,10,13)(H,14,15)
InChIKeyAMARHVNMSQDESI-UHFFFAOYSA-N
MW217.22 g/mol
LogP-1.10
Rot. Bonds6

About 2-(3-acetamidopropanoylamino)ethylcarbamic acid

2-(3-acetamidopropanoylamino)ethylcarbamic acid (PubChem CID 19805641) has the molecular formula C8H15N3O4 and a molecular weight of 217.22 g/mol. Its IUPAC name is 2-(3-acetamidopropanoylamino)ethylcarbamic acid.

Molecular Properties

Compound Name2-(3-acetamidopropanoylamino)ethylcarbamic acid
PubChem CID19805641
Molecular FormulaC8H15N3O4
Molecular Weight217.22 g/mol
Exact Mass217.11
IUPAC Name2-(3-acetamidopropanoylamino)ethylcarbamic acid
SMILESCC(=O)NCCC(=O)NCCNC(=O)O
InChIInChI=1S/C8H15N3O4/c1-6(12)9-3-2-7(13)10-4-5-11-8(14)15/h11H,2-5H2,1H3,(H,9,12)(H,10,13)(H,14,15)
InChIKeyAMARHVNMSQDESI-UHFFFAOYSA-N
XLogP-1.10
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 5-1.10
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

[3-(2-hydroxyethylamino)-3-oxopropyl]carbamic acid
CID 89354433
methyl 3-(3-acetamidopropanoylamino)propanoate
CID 60637138
N-[2-(3-oxobutylcarbamoylamino)ethyl]acetamide
CID 108895197
N-(2-acetamidoethyl)-5-hydroxypentanamide
CID 79199978
4-(3-acetamidopropanoylamino)-3-methylbutanoic acid
CID 81063631
N-(4-acetamidobutyl)butanamide
CID 110417477
3-[2-(2-acetamidoethoxy)ethoxy]-N-(2-acetamidoethyl)propanamide
CID 142430015
6-[6-(6-acetamidohexanoylamino)hexanoylamino]hexanoic acid
CID 59079185
3-acetamidopropanoyloxidanium
CID 154009858
3-acetamido-N-(3-hydroxy-2-methylpropyl)propanamide
CID 65031539
3-acetamido-N-(2,3-dihydroxypropyl)propanamide
CID 66177308
[3-(methanesulfonamido)-3-oxopropyl]carbamic acid
CID 87207145

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetamidopropanoylamino)ethylcarbamic acid?
The IUPAC name of 2-(3-acetamidopropanoylamino)ethylcarbamic acid (CID 19805641) is 2-(3-acetamidopropanoylamino)ethylcarbamic acid.
What is the SMILES notation for 2-(3-acetamidopropanoylamino)ethylcarbamic acid?
The canonical SMILES for 2-(3-acetamidopropanoylamino)ethylcarbamic acid is CC(=O)NCCC(=O)NCCNC(=O)O.
What is the InChIKey of 2-(3-acetamidopropanoylamino)ethylcarbamic acid?
The InChIKey is AMARHVNMSQDESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O4/c1-6(12)9-3-2-7(13)10-4-5-11-8(14)15/h11H,2-5H2,1H3,(H,9,12)(H,10,13)(H,14,15).
What are the key properties of 2-(3-acetamidopropanoylamino)ethylcarbamic acid?
2-(3-acetamidopropanoylamino)ethylcarbamic acid has a molecular weight of 217.22 g/mol, XLogP of -1.10, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetamidopropanoylamino)ethylcarbamic acid is sourced from PubChem (CID 19805641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).