3-[[(2-amino-2-oxoethyl)-butylcarbamoyl]amino]-2-hydroxypropanoic acid

C10H19N3O5 — CID 66167624

IUPAC3-[[(2-amino-2-oxoethyl)-butylcarbamoyl]amino]-2-hydroxypropanoic acid
SMILESCCCCN(CC(N)=O)C(=O)NCC(O)C(=O)O
InChIInChI=1S/C10H19N3O5/c1-2-3-4-13(6-8(11)15)10(18)12-5-7(14)9(16)17/h7,14H,2-6H2,1H3,(H2,11,15)(H,12,18)(H,16,17)
InChIKeySSMWYRKPFFEIOR-UHFFFAOYSA-N
MW261.28 g/mol
LogP-1.27
Rot. Bonds8

About 3-[[(2-amino-2-oxoethyl)-butylcarbamoyl]amino]-2-hydroxypropanoic acid

3-[[(2-amino-2-oxoethyl)-butylcarbamoyl]amino]-2-hydroxypropanoic acid (PubChem CID 66167624) has the molecular formula C10H19N3O5 and a molecular weight of 261.28 g/mol. Its IUPAC name is 3-[[(2-amino-2-oxoethyl)-butylcarbamoyl]amino]-2-hydroxypropanoic acid.

Molecular Properties

Compound Name3-[[(2-amino-2-oxoethyl)-butylcarbamoyl]amino]-2-hydroxypropanoic acid
PubChem CID66167624
Molecular FormulaC10H19N3O5
Molecular Weight261.28 g/mol
Exact Mass261.13
IUPAC Name3-[[(2-amino-2-oxoethyl)-butylcarbamoyl]amino]-2-hydroxypropanoic acid
SMILESCCCCN(CC(N)=O)C(=O)NCC(O)C(=O)O
InChIInChI=1S/C10H19N3O5/c1-2-3-4-13(6-8(11)15)10(18)12-5-7(14)9(16)17/h7,14H,2-6H2,1H3,(H2,11,15)(H,12,18)(H,16,17)
InChIKeySSMWYRKPFFEIOR-UHFFFAOYSA-N
XLogP-1.27
TPSA132.96 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 5-1.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(2-amino-2-oxoethyl)-butylcarbamoyl]amino]-2-methylpropanoic acid
CID 55105126
2-[butyl(butylcarbamoyl)amino]acetamide
CID 115585915
3-[[butyl(methyl)carbamoyl]amino]-2-hydroxypropanoic acid
CID 66166113
2-hydroxy-3-[[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]amino]propanoic acid
CID 66167409
(2R)-2-[[(2-amino-2-oxoethyl)-butylcarbamoyl]amino]-3-methylbutanoic acid
CID 79010409
(2S)-3-[[butan-2-yl(butyl)carbamoyl]amino]-2-hydroxypropanoic acid
CID 107839256
2-[[(2-amino-2-oxoethyl)-butylcarbamoyl]amino]-4-hydroxybutanoic acid
CID 55003401
3-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]-2-hydroxypropanoic acid
CID 66165725
2-[2-[[(2-amino-2-oxoethyl)-butylcarbamoyl]amino]ethoxy]acetic acid
CID 79463056
2-hydroxy-3-[[methyl(propyl)carbamoyl]amino]propanoic acid
CID 66167993
3-[[(2-amino-2-oxoethyl)-ethylcarbamoyl]amino]-2-methylpropanoic acid
CID 103103591
2-[(2-amino-2-oxoethyl)-(dibutylcarbamoyl)amino]acetic acid
CID 107437530

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-amino-2-oxoethyl)-butylcarbamoyl]amino]-2-hydroxypropanoic acid?
The IUPAC name of 3-[[(2-amino-2-oxoethyl)-butylcarbamoyl]amino]-2-hydroxypropanoic acid (CID 66167624) is 3-[[(2-amino-2-oxoethyl)-butylcarbamoyl]amino]-2-hydroxypropanoic acid.
What is the SMILES notation for 3-[[(2-amino-2-oxoethyl)-butylcarbamoyl]amino]-2-hydroxypropanoic acid?
The canonical SMILES for 3-[[(2-amino-2-oxoethyl)-butylcarbamoyl]amino]-2-hydroxypropanoic acid is CCCCN(CC(N)=O)C(=O)NCC(O)C(=O)O.
What is the InChIKey of 3-[[(2-amino-2-oxoethyl)-butylcarbamoyl]amino]-2-hydroxypropanoic acid?
The InChIKey is SSMWYRKPFFEIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O5/c1-2-3-4-13(6-8(11)15)10(18)12-5-7(14)9(16)17/h7,14H,2-6H2,1H3,(H2,11,15)(H,12,18)(H,16,17).
What are the key properties of 3-[[(2-amino-2-oxoethyl)-butylcarbamoyl]amino]-2-hydroxypropanoic acid?
3-[[(2-amino-2-oxoethyl)-butylcarbamoyl]amino]-2-hydroxypropanoic acid has a molecular weight of 261.28 g/mol, XLogP of -1.27, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-amino-2-oxoethyl)-butylcarbamoyl]amino]-2-hydroxypropanoic acid is sourced from PubChem (CID 66167624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).