3-hydroxy-2-[[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]amino]butanoic acid

C11H21N3O5 — CID 54985406

IUPAC3-hydroxy-2-[[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]amino]butanoic acid
SMILESCCCN(CC(=O)NC)C(=O)NC(C(=O)O)C(C)O
InChIInChI=1S/C11H21N3O5/c1-4-5-14(6-8(16)12-3)11(19)13-9(7(2)15)10(17)18/h7,9,15H,4-6H2,1-3H3,(H,12,16)(H,13,19)(H,17,18)
InChIKeyLXUWQHUOCKHCBR-UHFFFAOYSA-N
MW275.31 g/mol
LogP-1.01
Rot. Bonds7

About 3-hydroxy-2-[[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]amino]butanoic acid

3-hydroxy-2-[[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]amino]butanoic acid (PubChem CID 54985406) has the molecular formula C11H21N3O5 and a molecular weight of 275.31 g/mol. Its IUPAC name is 3-hydroxy-2-[[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]amino]butanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-[[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]amino]butanoic acid
PubChem CID54985406
Molecular FormulaC11H21N3O5
Molecular Weight275.31 g/mol
Exact Mass275.15
IUPAC Name3-hydroxy-2-[[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]amino]butanoic acid
SMILESCCCN(CC(=O)NC)C(=O)NC(C(=O)O)C(C)O
InChIInChI=1S/C11H21N3O5/c1-4-5-14(6-8(16)12-3)11(19)13-9(7(2)15)10(17)18/h7,9,15H,4-6H2,1-3H3,(H,12,16)(H,13,19)(H,17,18)
InChIKeyLXUWQHUOCKHCBR-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

Analyze 3-hydroxy-2-[[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]amino]butanoic acid with MolForge

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Related Compounds

2-[[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]amino]propanoic acid
CID 54985451
(2R)-2-[[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]amino]propanoic acid
CID 78972133
(2S,3R)-3-hydroxy-2-[[propyl(prop-2-ynyl)carbamoyl]amino]butanoic acid
CID 104966481
2-hydroxy-3-[[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]amino]propanoic acid
CID 66167409
2-[bis(2-amino-2-oxoethyl)carbamoylamino]-3-hydroxybutanoic acid
CID 62921939
(2S,3R)-2-[[butan-2-yl(butyl)carbamoyl]amino]-3-hydroxybutanoic acid
CID 104966078
2-[bis(2-methoxyethyl)carbamoylamino]-3-hydroxybutanoic acid
CID 61418747
3-methyl-2-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid
CID 55009419
2-[[ethyl(2-ethylbutyl)carbamoyl]amino]-3-hydroxybutanoic acid
CID 61437732
3-methoxy-4-[[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]amino]butanoic acid
CID 103158984
2-[[[3-(1-amino-2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]methyl-propylcarbamoyl]amino]-3-hydroxybutanoic acid
CID 145150676
(2S)-2-amino-3-methyl-N-[2-(methylamino)-2-oxoethyl]-N-propylbutanamide
CID 61157628

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]amino]butanoic acid?
The IUPAC name of 3-hydroxy-2-[[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]amino]butanoic acid (CID 54985406) is 3-hydroxy-2-[[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]amino]butanoic acid.
What is the SMILES notation for 3-hydroxy-2-[[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]amino]butanoic acid?
The canonical SMILES for 3-hydroxy-2-[[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]amino]butanoic acid is CCCN(CC(=O)NC)C(=O)NC(C(=O)O)C(C)O.
What is the InChIKey of 3-hydroxy-2-[[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]amino]butanoic acid?
The InChIKey is LXUWQHUOCKHCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O5/c1-4-5-14(6-8(16)12-3)11(19)13-9(7(2)15)10(17)18/h7,9,15H,4-6H2,1-3H3,(H,12,16)(H,13,19)(H,17,18).
What are the key properties of 3-hydroxy-2-[[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]amino]butanoic acid?
3-hydroxy-2-[[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]amino]butanoic 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 3-hydroxy-2-[[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]amino]butanoic acid is sourced from PubChem (CID 54985406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).