2-amino-3-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide

C8H18N4O2 — CID 103239204

IUPAC2-amino-3-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide
SMILESCC(C)NC(=O)CNCC(N)C(N)=O
InChIInChI=1S/C8H18N4O2/c1-5(2)12-7(13)4-11-3-6(9)8(10)14/h5-6,11H,3-4,9H2,1-2H3,(H2,10,14)(H,12,13)
InChIKeyUNCTVIQEUPLXEE-UHFFFAOYSA-N
MW202.26 g/mol
LogP-2.09
Rot. Bonds6

About 2-amino-3-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide

2-amino-3-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide (PubChem CID 103239204) has the molecular formula C8H18N4O2 and a molecular weight of 202.26 g/mol. Its IUPAC name is 2-amino-3-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide.

Molecular Properties

Compound Name2-amino-3-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide
PubChem CID103239204
Molecular FormulaC8H18N4O2
Molecular Weight202.26 g/mol
Exact Mass202.14
IUPAC Name2-amino-3-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide
SMILESCC(C)NC(=O)CNCC(N)C(N)=O
InChIInChI=1S/C8H18N4O2/c1-5(2)12-7(13)4-11-3-6(9)8(10)14/h5-6,11H,3-4,9H2,1-2H3,(H2,10,14)(H,12,13)
InChIKeyUNCTVIQEUPLXEE-UHFFFAOYSA-N
XLogP-2.09
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 5-2.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-[[2-(tert-butylamino)-2-oxoethyl]amino]propanamide
CID 103260238
2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
CID 28586640
2-amino-3-(2-methylpropylamino)propanamide
CID 103231048
2-[[(2S)-2,3-dihydroxypropyl]amino]-N-propan-2-ylacetamide
CID 61142666
N'-propan-2-yl-2-(propan-2-ylamino)butanediamide
CID 66431400
N-propan-2-yl-2-(propylamino)acetamide
CID 28586282
2-amino-3-[[3-(butan-2-ylamino)-3-oxopropyl]amino]propanamide
CID 103241874
3-methyl-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]butanamide
CID 103914253
2-amino-3-(2-ethylbutylamino)propanamide
CID 103267063
2-amino-3-[(1-amino-1-oxopropan-2-yl)amino]propanamide
CID 103238893
2-[[2-(dimethylamino)-2-oxoethyl]amino]-N-propan-2-ylacetamide
CID 43214984
methyl 2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanoate
CID 60691190

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide?
The IUPAC name of 2-amino-3-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide (CID 103239204) is 2-amino-3-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide.
What is the SMILES notation for 2-amino-3-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide?
The canonical SMILES for 2-amino-3-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide is CC(C)NC(=O)CNCC(N)C(N)=O.
What is the InChIKey of 2-amino-3-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide?
The InChIKey is UNCTVIQEUPLXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4O2/c1-5(2)12-7(13)4-11-3-6(9)8(10)14/h5-6,11H,3-4,9H2,1-2H3,(H2,10,14)(H,12,13).
What are the key properties of 2-amino-3-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide?
2-amino-3-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide has a molecular weight of 202.26 g/mol, XLogP of -2.09, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide is sourced from PubChem (CID 103239204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).