2-amino-3-[[2-(tert-butylamino)-2-oxoethyl]amino]propanamide

C9H20N4O2 — CID 103260238

IUPAC2-amino-3-[[2-(tert-butylamino)-2-oxoethyl]amino]propanamide
SMILESCC(C)(C)NC(=O)CNCC(N)C(N)=O
InChIInChI=1S/C9H20N4O2/c1-9(2,3)13-7(14)5-12-4-6(10)8(11)15/h6,12H,4-5,10H2,1-3H3,(H2,11,15)(H,13,14)
InChIKeyNBEYBQQIPNVOHE-UHFFFAOYSA-N
MW216.28 g/mol
LogP-1.70
Rot. Bonds5

About 2-amino-3-[[2-(tert-butylamino)-2-oxoethyl]amino]propanamide

2-amino-3-[[2-(tert-butylamino)-2-oxoethyl]amino]propanamide (PubChem CID 103260238) has the molecular formula C9H20N4O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-amino-3-[[2-(tert-butylamino)-2-oxoethyl]amino]propanamide.

Molecular Properties

Compound Name2-amino-3-[[2-(tert-butylamino)-2-oxoethyl]amino]propanamide
PubChem CID103260238
Molecular FormulaC9H20N4O2
Molecular Weight216.28 g/mol
Exact Mass216.16
IUPAC Name2-amino-3-[[2-(tert-butylamino)-2-oxoethyl]amino]propanamide
SMILESCC(C)(C)NC(=O)CNCC(N)C(N)=O
InChIInChI=1S/C9H20N4O2/c1-9(2,3)13-7(14)5-12-4-6(10)8(11)15/h6,12H,4-5,10H2,1-3H3,(H2,11,15)(H,13,14)
InChIKeyNBEYBQQIPNVOHE-UHFFFAOYSA-N
XLogP-1.70
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-1.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide
CID 103239204
N-tert-butyl-2-(2-hydroxybutylamino)acetamide
CID 115356599
ethyl 3-[[2-(tert-butylamino)-2-oxoethyl]amino]-2-methylpropanoate
CID 115356417
2-[[2-(aminomethyl)-3-methylbutyl]amino]-N-tert-butylacetamide
CID 107442563
tert-butyl 2-amino-4-(tert-butylamino)-4-oxobutanoate
CID 87443348
2-amino-3-(2-methylpropylamino)propanamide
CID 103231048
N-tert-butyl-2-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]acetamide
CID 115356372
tert-butyl N-[2-[[[2-(tert-butylamino)-2-oxoethyl]amino]methyl]-3-methylbutyl]carbamate
CID 107442562
2-amino-3-(2-ethylbutylamino)propanamide
CID 103267063
2-amino-3-[(2-hydroxy-2-methylpentyl)amino]propanamide
CID 106294471
N-tert-butyl-2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]acetamide
CID 106990312
2-amino-3-[(2-hydroxy-3-methoxypropyl)amino]propanamide
CID 103253317

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[[2-(tert-butylamino)-2-oxoethyl]amino]propanamide?
The IUPAC name of 2-amino-3-[[2-(tert-butylamino)-2-oxoethyl]amino]propanamide (CID 103260238) is 2-amino-3-[[2-(tert-butylamino)-2-oxoethyl]amino]propanamide.
What is the SMILES notation for 2-amino-3-[[2-(tert-butylamino)-2-oxoethyl]amino]propanamide?
The canonical SMILES for 2-amino-3-[[2-(tert-butylamino)-2-oxoethyl]amino]propanamide is CC(C)(C)NC(=O)CNCC(N)C(N)=O.
What is the InChIKey of 2-amino-3-[[2-(tert-butylamino)-2-oxoethyl]amino]propanamide?
The InChIKey is NBEYBQQIPNVOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4O2/c1-9(2,3)13-7(14)5-12-4-6(10)8(11)15/h6,12H,4-5,10H2,1-3H3,(H2,11,15)(H,13,14).
What are the key properties of 2-amino-3-[[2-(tert-butylamino)-2-oxoethyl]amino]propanamide?
2-amino-3-[[2-(tert-butylamino)-2-oxoethyl]amino]propanamide has a molecular weight of 216.28 g/mol, XLogP of -1.70, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[[2-(tert-butylamino)-2-oxoethyl]amino]propanamide is sourced from PubChem (CID 103260238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).