2-[[1-oxo-1-(pentan-2-ylamino)propan-2-yl]amino]propanoic acid

C11H22N2O3 — CID 43467311

IUPAC2-[[1-oxo-1-(pentan-2-ylamino)propan-2-yl]amino]propanoic acid
SMILESCCCC(C)NC(=O)C(C)NC(C)C(=O)O
InChIInChI=1S/C11H22N2O3/c1-5-6-7(2)12-10(14)8(3)13-9(4)11(15)16/h7-9,13H,5-6H2,1-4H3,(H,12,14)(H,15,16)
InChIKeyZCCQFQADIYEUBB-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.74
Rot. Bonds7

About 2-[[1-oxo-1-(pentan-2-ylamino)propan-2-yl]amino]propanoic acid

2-[[1-oxo-1-(pentan-2-ylamino)propan-2-yl]amino]propanoic acid (PubChem CID 43467311) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-[[1-oxo-1-(pentan-2-ylamino)propan-2-yl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[1-oxo-1-(pentan-2-ylamino)propan-2-yl]amino]propanoic acid
PubChem CID43467311
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name2-[[1-oxo-1-(pentan-2-ylamino)propan-2-yl]amino]propanoic acid
SMILESCCCC(C)NC(=O)C(C)NC(C)C(=O)O
InChIInChI=1S/C11H22N2O3/c1-5-6-7(2)12-10(14)8(3)13-9(4)11(15)16/h7-9,13H,5-6H2,1-4H3,(H,12,14)(H,15,16)
InChIKeyZCCQFQADIYEUBB-UHFFFAOYSA-N
XLogP0.74
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-hydroxybutan-2-ylamino)-N-pentan-2-ylpropanamide
CID 43416457
2-(hexan-2-ylamino)-N-pentan-2-ylpropanamide
CID 62201162
2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-N-pentan-2-ylpropanamide
CID 103108377
2-[[1-(butylamino)-1-oxopropan-2-yl]amino]propanoic acid
CID 43467320
2-(1-cyclopropylethylamino)-N-pentan-2-ylpropanamide
CID 43420322
N-pentan-2-yl-2-[[(1R)-1-phenylethyl]amino]propanamide
CID 78948251
(2S)-2-[[(1S)-1-carboxyethyl]amino]propanoic acid
CID 10953819
N-(4-hydroxybutan-2-yl)-2-methylpentanamide
CID 81042782
2-(1-fluorobutylamino)propanoic acid
CID 87722043
2-(3-methylpentan-3-ylamino)-N-pentan-2-ylpropanamide
CID 106328554
2-bromo-N-pentan-2-ylpropanamide
CID 81222887
4-[[1-oxo-1-(pentan-2-ylamino)propan-2-yl]amino]butanoic acid
CID 43473353

Frequently Asked Questions

What is the IUPAC name of 2-[[1-oxo-1-(pentan-2-ylamino)propan-2-yl]amino]propanoic acid?
The IUPAC name of 2-[[1-oxo-1-(pentan-2-ylamino)propan-2-yl]amino]propanoic acid (CID 43467311) is 2-[[1-oxo-1-(pentan-2-ylamino)propan-2-yl]amino]propanoic acid.
What is the SMILES notation for 2-[[1-oxo-1-(pentan-2-ylamino)propan-2-yl]amino]propanoic acid?
The canonical SMILES for 2-[[1-oxo-1-(pentan-2-ylamino)propan-2-yl]amino]propanoic acid is CCCC(C)NC(=O)C(C)NC(C)C(=O)O.
What is the InChIKey of 2-[[1-oxo-1-(pentan-2-ylamino)propan-2-yl]amino]propanoic acid?
The InChIKey is ZCCQFQADIYEUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-5-6-7(2)12-10(14)8(3)13-9(4)11(15)16/h7-9,13H,5-6H2,1-4H3,(H,12,14)(H,15,16).
What are the key properties of 2-[[1-oxo-1-(pentan-2-ylamino)propan-2-yl]amino]propanoic acid?
2-[[1-oxo-1-(pentan-2-ylamino)propan-2-yl]amino]propanoic acid has a molecular weight of 230.31 g/mol, XLogP of 0.74, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-oxo-1-(pentan-2-ylamino)propan-2-yl]amino]propanoic acid is sourced from PubChem (CID 43467311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).