2-amino-N-[2-[(3-amino-2-oxopropyl)amino]ethyl]acetamide

C7H16N4O2 — CID 118189326

IUPAC2-amino-N-[2-[(3-amino-2-oxopropyl)amino]ethyl]acetamide
SMILESNCC(=O)CNCCNC(=O)CN
InChIInChI=1S/C7H16N4O2/c8-3-6(12)5-10-1-2-11-7(13)4-9/h10H,1-5,8-9H2,(H,11,13)
InChIKeyXGAWPJIIZPQHSF-UHFFFAOYSA-N
MW188.23 g/mol
LogP-2.82
Rot. Bonds7

About 2-amino-N-[2-[(3-amino-2-oxopropyl)amino]ethyl]acetamide

2-amino-N-[2-[(3-amino-2-oxopropyl)amino]ethyl]acetamide (PubChem CID 118189326) has the molecular formula C7H16N4O2 and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-amino-N-[2-[(3-amino-2-oxopropyl)amino]ethyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2-[(3-amino-2-oxopropyl)amino]ethyl]acetamide
PubChem CID118189326
Molecular FormulaC7H16N4O2
Molecular Weight188.23 g/mol
Exact Mass188.13
IUPAC Name2-amino-N-[2-[(3-amino-2-oxopropyl)amino]ethyl]acetamide
SMILESNCC(=O)CNCCNC(=O)CN
InChIInChI=1S/C7H16N4O2/c8-3-6(12)5-10-1-2-11-7(13)4-9/h10H,1-5,8-9H2,(H,11,13)
InChIKeyXGAWPJIIZPQHSF-UHFFFAOYSA-N
XLogP-2.82
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-2.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-amino-3-[7-[(3-amino-2-oxopropyl)amino]heptylamino]propan-2-one
CID 15689284
1-amino-3-[8-[(3-amino-2-oxopropyl)amino]octylamino]propan-2-one
CID 15689283
N,N'-bis[2-(2-aminoethylamino)ethyl]propanediamide
CID 100925313
N,N'-bis[2-[2-(2-aminoethylamino)ethylamino]ethyl]propanediamide
CID 59846980
2-amino-N-[2-[2-(carbamoylamino)ethylamino]-2-oxoethyl]acetamide
CID 83111303
5-[(3-amino-2-oxopropyl)amino]pentanoic acid
CID 57465277
N-[2-[(2-aminoacetyl)amino]ethyl]-3-sulfanylpropanamide
CID 140976881
2-amino-N-[2-[bis[2-[(2-aminoacetyl)amino]ethyl]amino]ethyl]acetamide
CID 59349236
2-[(3-amino-2-oxopropyl)amino]acetic acid;hydrochloride
CID 87629074
2-amino-N-[2-oxo-2-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-(2-oxoethylamino)ethyl]amino]ethyl]amino]ethyl]amino]ethyl]amino]ethyl]amino]ethyl]amino]ethyl]acetamide
CID 122707091
2-amino-N-[2-oxo-2-(4,4,4-trifluorobutylamino)ethyl]acetamide
CID 115519305
6-[(2-aminoacetyl)amino]-N-(2-oxoethyl)hexanamide
CID 91393325

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[(3-amino-2-oxopropyl)amino]ethyl]acetamide?
The IUPAC name of 2-amino-N-[2-[(3-amino-2-oxopropyl)amino]ethyl]acetamide (CID 118189326) is 2-amino-N-[2-[(3-amino-2-oxopropyl)amino]ethyl]acetamide.
What is the SMILES notation for 2-amino-N-[2-[(3-amino-2-oxopropyl)amino]ethyl]acetamide?
The canonical SMILES for 2-amino-N-[2-[(3-amino-2-oxopropyl)amino]ethyl]acetamide is NCC(=O)CNCCNC(=O)CN.
What is the InChIKey of 2-amino-N-[2-[(3-amino-2-oxopropyl)amino]ethyl]acetamide?
The InChIKey is XGAWPJIIZPQHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N4O2/c8-3-6(12)5-10-1-2-11-7(13)4-9/h10H,1-5,8-9H2,(H,11,13).
What are the key properties of 2-amino-N-[2-[(3-amino-2-oxopropyl)amino]ethyl]acetamide?
2-amino-N-[2-[(3-amino-2-oxopropyl)amino]ethyl]acetamide has a molecular weight of 188.23 g/mol, XLogP of -2.82, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[(3-amino-2-oxopropyl)amino]ethyl]acetamide is sourced from PubChem (CID 118189326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).