2-[[(2-amino-2-oxoethyl)-butylcarbamoyl]amino]-4-hydroxybutanoic acid

C11H21N3O5 — CID 55003401

IUPAC2-[[(2-amino-2-oxoethyl)-butylcarbamoyl]amino]-4-hydroxybutanoic acid
SMILESCCCCN(CC(N)=O)C(=O)NC(CCO)C(=O)O
InChIInChI=1S/C11H21N3O5/c1-2-3-5-14(7-9(12)16)11(19)13-8(4-6-15)10(17)18/h8,15H,2-7H2,1H3,(H2,12,16)(H,13,19)(H,17,18)
InChIKeyWDFRLOHMILUMNL-UHFFFAOYSA-N
MW275.30 g/mol
LogP-0.88
Rot. Bonds9

About 2-[[(2-amino-2-oxoethyl)-butylcarbamoyl]amino]-4-hydroxybutanoic acid

2-[[(2-amino-2-oxoethyl)-butylcarbamoyl]amino]-4-hydroxybutanoic acid (PubChem CID 55003401) has the molecular formula C11H21N3O5 and a molecular weight of 275.30 g/mol. Its IUPAC name is 2-[[(2-amino-2-oxoethyl)-butylcarbamoyl]amino]-4-hydroxybutanoic acid.

Molecular Properties

Compound Name2-[[(2-amino-2-oxoethyl)-butylcarbamoyl]amino]-4-hydroxybutanoic acid
PubChem CID55003401
Molecular FormulaC11H21N3O5
Molecular Weight275.30 g/mol
Exact Mass275.15
IUPAC Name2-[[(2-amino-2-oxoethyl)-butylcarbamoyl]amino]-4-hydroxybutanoic acid
SMILESCCCCN(CC(N)=O)C(=O)NC(CCO)C(=O)O
InChIInChI=1S/C11H21N3O5/c1-2-3-5-14(7-9(12)16)11(19)13-8(4-6-15)10(17)18/h8,15H,2-7H2,1H3,(H2,12,16)(H,13,19)(H,17,18)
InChIKeyWDFRLOHMILUMNL-UHFFFAOYSA-N
XLogP-0.88
TPSA132.96 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 5-0.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(dipropylcarbamoylamino)-4-hydroxybutanoic acid
CID 107825581
(2R)-2-[[(2-amino-2-oxoethyl)-butylcarbamoyl]amino]-3-methylbutanoic acid
CID 79010409
(2R)-2-[[butyl(ethyl)carbamoyl]amino]pentanoic acid
CID 107565990
(2S)-2-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]-4-hydroxybutanoic acid
CID 107826160
2-[[butyl(2-hydroxyethyl)carbamoyl]amino]pentanedioic acid
CID 61447464
(2R)-4-amino-2-[[butyl(ethyl)carbamoyl]amino]-4-oxobutanoic acid
CID 107825753
4-amino-2-[[butyl(ethyl)carbamoyl]amino]-4-oxobutanoic acid
CID 61186230
(2S)-2-(dibutylcarbamoylamino)pentanedioic acid
CID 61185545
3-[[(2-amino-2-oxoethyl)-butylcarbamoyl]amino]-2-methylpropanoic acid
CID 55105126
(2S)-4-hydroxy-2-[[methyl(pentyl)carbamoyl]amino]butanoic acid
CID 107826115
(2R)-2-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]-4-hydroxybutanoic acid
CID 114005579
(2S)-2-(dipropylcarbamoylamino)hexanoic acid
CID 107145276

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-amino-2-oxoethyl)-butylcarbamoyl]amino]-4-hydroxybutanoic acid?
The IUPAC name of 2-[[(2-amino-2-oxoethyl)-butylcarbamoyl]amino]-4-hydroxybutanoic acid (CID 55003401) is 2-[[(2-amino-2-oxoethyl)-butylcarbamoyl]amino]-4-hydroxybutanoic acid.
What is the SMILES notation for 2-[[(2-amino-2-oxoethyl)-butylcarbamoyl]amino]-4-hydroxybutanoic acid?
The canonical SMILES for 2-[[(2-amino-2-oxoethyl)-butylcarbamoyl]amino]-4-hydroxybutanoic acid is CCCCN(CC(N)=O)C(=O)NC(CCO)C(=O)O.
What is the InChIKey of 2-[[(2-amino-2-oxoethyl)-butylcarbamoyl]amino]-4-hydroxybutanoic acid?
The InChIKey is WDFRLOHMILUMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O5/c1-2-3-5-14(7-9(12)16)11(19)13-8(4-6-15)10(17)18/h8,15H,2-7H2,1H3,(H2,12,16)(H,13,19)(H,17,18).
What are the key properties of 2-[[(2-amino-2-oxoethyl)-butylcarbamoyl]amino]-4-hydroxybutanoic acid?
2-[[(2-amino-2-oxoethyl)-butylcarbamoyl]amino]-4-hydroxybutanoic acid has a molecular weight of 275.30 g/mol, XLogP of -0.88, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-amino-2-oxoethyl)-butylcarbamoyl]amino]-4-hydroxybutanoic acid is sourced from PubChem (CID 55003401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).