2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoylamino]-4-hydroxybutanoic acid

C11H21N3O5 — CID 103112573

IUPAC2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoylamino]-4-hydroxybutanoic acid
SMILESCCN(C)C(=O)C(C)NC(=O)NC(CCO)C(=O)O
InChIInChI=1S/C11H21N3O5/c1-4-14(3)9(16)7(2)12-11(19)13-8(5-6-15)10(17)18/h7-8,15H,4-6H2,1-3H3,(H,17,18)(H2,12,13,19)
InChIKeyYZUVIEASRAAGGR-UHFFFAOYSA-N
MW275.31 g/mol
LogP-1.01
Rot. Bonds7

About 2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoylamino]-4-hydroxybutanoic acid

2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoylamino]-4-hydroxybutanoic acid (PubChem CID 103112573) has the molecular formula C11H21N3O5 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoylamino]-4-hydroxybutanoic acid.

Molecular Properties

Compound Name2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoylamino]-4-hydroxybutanoic acid
PubChem CID103112573
Molecular FormulaC11H21N3O5
Molecular Weight275.31 g/mol
Exact Mass275.15
IUPAC Name2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoylamino]-4-hydroxybutanoic acid
SMILESCCN(C)C(=O)C(C)NC(=O)NC(CCO)C(=O)O
InChIInChI=1S/C11H21N3O5/c1-4-14(3)9(16)7(2)12-11(19)13-8(5-6-15)10(17)18/h7-8,15H,4-6H2,1-3H3,(H,17,18)(H2,12,13,19)
InChIKeyYZUVIEASRAAGGR-UHFFFAOYSA-N
XLogP-1.01
TPSA118.97 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 5-1.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoylamino]hexanoic acid
CID 103112638
(2S)-2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoylamino]butanoic acid
CID 103112496
(2R)-2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoylamino]butanedioic acid
CID 103112614
2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoylamino]butanedioic acid
CID 103112551
4-amino-2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoylamino]-4-oxobutanoic acid
CID 103112595
2-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-4-hydroxybutanoic acid
CID 61227753
(2R)-2-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoylamino]pentanoic acid
CID 107566462
(2R)-4-hydroxy-2-[[1-oxo-1-(propylamino)propan-2-yl]carbamoylamino]butanoic acid
CID 107826833
2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoylamino]-3,3-dimethylbutanoic acid
CID 103112692
2-[[1-(diethylamino)-1-oxopropan-2-yl]carbamoylamino]butanoic acid
CID 113408715
(2S)-4-hydroxy-2-(2-methylpentan-3-ylcarbamoylamino)butanoic acid
CID 107826796
(2R)-4-hydroxy-2-(methylcarbamoylamino)butanoic acid
CID 91507162

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoylamino]-4-hydroxybutanoic acid?
The IUPAC name of 2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoylamino]-4-hydroxybutanoic acid (CID 103112573) is 2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoylamino]-4-hydroxybutanoic acid.
What is the SMILES notation for 2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoylamino]-4-hydroxybutanoic acid?
The canonical SMILES for 2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoylamino]-4-hydroxybutanoic acid is CCN(C)C(=O)C(C)NC(=O)NC(CCO)C(=O)O.
What is the InChIKey of 2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoylamino]-4-hydroxybutanoic acid?
The InChIKey is YZUVIEASRAAGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O5/c1-4-14(3)9(16)7(2)12-11(19)13-8(5-6-15)10(17)18/h7-8,15H,4-6H2,1-3H3,(H,17,18)(H2,12,13,19).
What are the key properties of 2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoylamino]-4-hydroxybutanoic acid?
2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoylamino]-4-hydroxybutanoic acid has a molecular weight of 275.31 g/mol, XLogP of -1.01, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoylamino]-4-hydroxybutanoic acid is sourced from PubChem (CID 103112573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).