2-amino-N-[2-oxo-2-(pent-1-yn-3-ylamino)ethyl]acetamide

C9H15N3O2 — CID 106230441

IUPAC2-amino-N-[2-oxo-2-(pent-1-yn-3-ylamino)ethyl]acetamide
SMILESC#CC(CC)NC(=O)CNC(=O)CN
InChIInChI=1S/C9H15N3O2/c1-3-7(4-2)12-9(14)6-11-8(13)5-10/h1,7H,4-6,10H2,2H3,(H,11,13)(H,12,14)
InChIKeySALZJWOSVBFLJU-UHFFFAOYSA-N
MW197.24 g/mol
LogP-1.41
Rot. Bonds5

About 2-amino-N-[2-oxo-2-(pent-1-yn-3-ylamino)ethyl]acetamide

2-amino-N-[2-oxo-2-(pent-1-yn-3-ylamino)ethyl]acetamide (PubChem CID 106230441) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-amino-N-[2-oxo-2-(pent-1-yn-3-ylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2-oxo-2-(pent-1-yn-3-ylamino)ethyl]acetamide
PubChem CID106230441
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name2-amino-N-[2-oxo-2-(pent-1-yn-3-ylamino)ethyl]acetamide
SMILESC#CC(CC)NC(=O)CNC(=O)CN
InChIInChI=1S/C9H15N3O2/c1-3-7(4-2)12-9(14)6-11-8(13)5-10/h1,7H,4-6,10H2,2H3,(H,11,13)(H,12,14)
InChIKeySALZJWOSVBFLJU-UHFFFAOYSA-N
XLogP-1.41
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-1.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-amino-N-[2-oxo-2-(pent-1-yn-3-ylamino)ethyl]acetamide 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

2-(methylamino)-N-pent-1-yn-3-ylacetamide
CID 106230235
2-amino-N-[2-(hexan-3-ylamino)-2-oxoethyl]acetamide
CID 62117084
3-amino-N-pent-1-yn-3-ylbutanamide
CID 106230437
6-amino-4-methyl-N-pent-1-yn-3-ylhexanamide
CID 106230416
3,3-dimethyl-N-pent-1-yn-3-ylbutanamide
CID 103578952
2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-methylpentanoic acid
CID 4182583
methyl 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-methylpentanoate
CID 60851923
2-(4-hydroxyphenyl)-N-pent-1-yn-3-ylacetamide
CID 103579156
3-ethoxy-N-pent-1-yn-3-ylpropanamide
CID 103579230
3-(4-aminophenyl)-N-pent-1-yn-3-ylbutanamide
CID 114161325
3,3-dimethyl-5-oxo-5-(pent-1-yn-3-ylamino)pentanoic acid
CID 106223896
2-amino-N-[2-[[2-[[2-[[2-[[2-(2-methylprop-2-enylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]acetamide
CID 121440614

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-oxo-2-(pent-1-yn-3-ylamino)ethyl]acetamide?
The IUPAC name of 2-amino-N-[2-oxo-2-(pent-1-yn-3-ylamino)ethyl]acetamide (CID 106230441) is 2-amino-N-[2-oxo-2-(pent-1-yn-3-ylamino)ethyl]acetamide.
What is the SMILES notation for 2-amino-N-[2-oxo-2-(pent-1-yn-3-ylamino)ethyl]acetamide?
The canonical SMILES for 2-amino-N-[2-oxo-2-(pent-1-yn-3-ylamino)ethyl]acetamide is C#CC(CC)NC(=O)CNC(=O)CN.
What is the InChIKey of 2-amino-N-[2-oxo-2-(pent-1-yn-3-ylamino)ethyl]acetamide?
The InChIKey is SALZJWOSVBFLJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-3-7(4-2)12-9(14)6-11-8(13)5-10/h1,7H,4-6,10H2,2H3,(H,11,13)(H,12,14).
What are the key properties of 2-amino-N-[2-oxo-2-(pent-1-yn-3-ylamino)ethyl]acetamide?
2-amino-N-[2-oxo-2-(pent-1-yn-3-ylamino)ethyl]acetamide has a molecular weight of 197.24 g/mol, XLogP of -1.41, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-oxo-2-(pent-1-yn-3-ylamino)ethyl]acetamide is sourced from PubChem (CID 106230441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).