2-hydroxy-4-[[1-oxo-1-(propylamino)propan-2-yl]carbamoylamino]butanoic acid

C11H21N3O5 — CID 107838991

IUPAC2-hydroxy-4-[[1-oxo-1-(propylamino)propan-2-yl]carbamoylamino]butanoic acid
SMILESCCCNC(=O)C(C)NC(=O)NCCC(O)C(=O)O
InChIInChI=1S/C11H21N3O5/c1-3-5-12-9(16)7(2)14-11(19)13-6-4-8(15)10(17)18/h7-8,15H,3-6H2,1-2H3,(H,12,16)(H,17,18)(H2,13,14,19)
InChIKeyRKXBFIKKNQZQEH-UHFFFAOYSA-N
MW275.31 g/mol
LogP-0.96
Rot. Bonds8

About 2-hydroxy-4-[[1-oxo-1-(propylamino)propan-2-yl]carbamoylamino]butanoic acid

2-hydroxy-4-[[1-oxo-1-(propylamino)propan-2-yl]carbamoylamino]butanoic acid (PubChem CID 107838991) has the molecular formula C11H21N3O5 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-hydroxy-4-[[1-oxo-1-(propylamino)propan-2-yl]carbamoylamino]butanoic acid.

Molecular Properties

Compound Name2-hydroxy-4-[[1-oxo-1-(propylamino)propan-2-yl]carbamoylamino]butanoic acid
PubChem CID107838991
Molecular FormulaC11H21N3O5
Molecular Weight275.31 g/mol
Exact Mass275.15
IUPAC Name2-hydroxy-4-[[1-oxo-1-(propylamino)propan-2-yl]carbamoylamino]butanoic acid
SMILESCCCNC(=O)C(C)NC(=O)NCCC(O)C(=O)O
InChIInChI=1S/C11H21N3O5/c1-3-5-12-9(16)7(2)14-11(19)13-6-4-8(15)10(17)18/h7-8,15H,3-6H2,1-2H3,(H,12,16)(H,17,18)(H2,13,14,19)
InChIKeyRKXBFIKKNQZQEH-UHFFFAOYSA-N
XLogP-0.96
TPSA127.76 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 5-0.96
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-hydroxy-4-(pentan-3-ylcarbamoylamino)butanoic acid
CID 107837790
4-[[1-oxo-1-(propylamino)propan-2-yl]carbamoylamino]butanoic acid
CID 54958611
2-methyl-N-[1-oxo-1-(propylamino)propan-2-yl]propanamide
CID 60659584
2-(propan-2-ylcarbamoylamino)-N-propylpropanamide
CID 115579917
(2S)-2-hydroxy-4-(2-methylbutanoylamino)butanoic acid
CID 107834276
4-(3,3-dimethylbutan-2-ylcarbamoylamino)-2-hydroxybutanoic acid
CID 107841000
(2S)-4-(4-ethylsulfanylbutan-2-ylcarbamoylamino)-2-hydroxybutanoic acid
CID 114007752
(2R)-4-hydroxy-2-[[1-oxo-1-(propylamino)propan-2-yl]carbamoylamino]butanoic acid
CID 107826833
(2S)-2-[[1-oxo-1-(propylamino)propan-2-yl]carbamoylamino]hexanoic acid
CID 107145710
(2S)-2-hydroxy-4-(4-methylhexan-2-ylcarbamoylamino)butanoic acid
CID 107840286
4-(but-3-en-2-ylcarbamoylamino)-2-hydroxybutanoic acid
CID 107841105
(2S)-2-hydroxy-4-(octylcarbamoylamino)butanoic acid
CID 107840685

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-[[1-oxo-1-(propylamino)propan-2-yl]carbamoylamino]butanoic acid?
The IUPAC name of 2-hydroxy-4-[[1-oxo-1-(propylamino)propan-2-yl]carbamoylamino]butanoic acid (CID 107838991) is 2-hydroxy-4-[[1-oxo-1-(propylamino)propan-2-yl]carbamoylamino]butanoic acid.
What is the SMILES notation for 2-hydroxy-4-[[1-oxo-1-(propylamino)propan-2-yl]carbamoylamino]butanoic acid?
The canonical SMILES for 2-hydroxy-4-[[1-oxo-1-(propylamino)propan-2-yl]carbamoylamino]butanoic acid is CCCNC(=O)C(C)NC(=O)NCCC(O)C(=O)O.
What is the InChIKey of 2-hydroxy-4-[[1-oxo-1-(propylamino)propan-2-yl]carbamoylamino]butanoic acid?
The InChIKey is RKXBFIKKNQZQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O5/c1-3-5-12-9(16)7(2)14-11(19)13-6-4-8(15)10(17)18/h7-8,15H,3-6H2,1-2H3,(H,12,16)(H,17,18)(H2,13,14,19).
What are the key properties of 2-hydroxy-4-[[1-oxo-1-(propylamino)propan-2-yl]carbamoylamino]butanoic acid?
2-hydroxy-4-[[1-oxo-1-(propylamino)propan-2-yl]carbamoylamino]butanoic acid has a molecular weight of 275.31 g/mol, XLogP of -0.96, 8 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-[[1-oxo-1-(propylamino)propan-2-yl]carbamoylamino]butanoic acid is sourced from PubChem (CID 107838991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).