2-(hexan-3-ylcarbamoylamino)-3-hydroxypropanoic acid

C10H20N2O4 — CID 62117859

IUPAC2-(hexan-3-ylcarbamoylamino)-3-hydroxypropanoic acid
SMILESCCCC(CC)NC(=O)NC(CO)C(=O)O
InChIInChI=1S/C10H20N2O4/c1-3-5-7(4-2)11-10(16)12-8(6-13)9(14)15/h7-8,13H,3-6H2,1-2H3,(H,14,15)(H2,11,12,16)
InChIKeyOKQYTAJUJNBKHV-UHFFFAOYSA-N
MW232.28 g/mol
LogP0.31
Rot. Bonds7

About 2-(hexan-3-ylcarbamoylamino)-3-hydroxypropanoic acid

2-(hexan-3-ylcarbamoylamino)-3-hydroxypropanoic acid (PubChem CID 62117859) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-(hexan-3-ylcarbamoylamino)-3-hydroxypropanoic acid.

Molecular Properties

Compound Name2-(hexan-3-ylcarbamoylamino)-3-hydroxypropanoic acid
PubChem CID62117859
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Name2-(hexan-3-ylcarbamoylamino)-3-hydroxypropanoic acid
SMILESCCCC(CC)NC(=O)NC(CO)C(=O)O
InChIInChI=1S/C10H20N2O4/c1-3-5-7(4-2)11-10(16)12-8(6-13)9(14)15/h7-8,13H,3-6H2,1-2H3,(H,14,15)(H2,11,12,16)
InChIKeyOKQYTAJUJNBKHV-UHFFFAOYSA-N
XLogP0.31
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-3-hydroxy-2-(pentan-3-ylcarbamoylamino)propanoic acid
CID 80750743
2-(hexan-3-ylcarbamoylamino)pentanedioic acid
CID 62119711
(2R)-2-(hexan-3-ylcarbamoylamino)hexanedioic acid
CID 107839582
(2R)-2-(hexan-3-ylcarbamoylamino)-3-methylbutanoic acid
CID 79010118
2-(hexan-3-ylcarbamoylamino)-3-methylbutanoic acid
CID 62117292
(2S)-2-(1-methoxybutan-2-ylcarbamoylamino)pentanoic acid
CID 107567087
(2S)-2-(1-carboxypentan-2-ylcarbamoylamino)pentanedioic acid
CID 134458676
(2S)-3-hydroxy-2-(2-methylpentanoylamino)propanoic acid
CID 61151739
(2R)-4-hydroxy-2-(1-methylsulfanylbutan-2-ylcarbamoylamino)butanoic acid
CID 107829130
(2S)-2-(butan-2-ylcarbamoylamino)pentanoic acid
CID 107565859
3-hydroxy-2-(5-methylhexan-2-ylcarbamoylamino)propanoic acid
CID 63927768
2-[(hexan-3-ylcarbamoylamino)methyl]pentanoic acid
CID 65222200

Frequently Asked Questions

What is the IUPAC name of 2-(hexan-3-ylcarbamoylamino)-3-hydroxypropanoic acid?
The IUPAC name of 2-(hexan-3-ylcarbamoylamino)-3-hydroxypropanoic acid (CID 62117859) is 2-(hexan-3-ylcarbamoylamino)-3-hydroxypropanoic acid.
What is the SMILES notation for 2-(hexan-3-ylcarbamoylamino)-3-hydroxypropanoic acid?
The canonical SMILES for 2-(hexan-3-ylcarbamoylamino)-3-hydroxypropanoic acid is CCCC(CC)NC(=O)NC(CO)C(=O)O.
What is the InChIKey of 2-(hexan-3-ylcarbamoylamino)-3-hydroxypropanoic acid?
The InChIKey is OKQYTAJUJNBKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-3-5-7(4-2)11-10(16)12-8(6-13)9(14)15/h7-8,13H,3-6H2,1-2H3,(H,14,15)(H2,11,12,16).
What are the key properties of 2-(hexan-3-ylcarbamoylamino)-3-hydroxypropanoic acid?
2-(hexan-3-ylcarbamoylamino)-3-hydroxypropanoic acid has a molecular weight of 232.28 g/mol, XLogP of 0.31, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hexan-3-ylcarbamoylamino)-3-hydroxypropanoic acid is sourced from PubChem (CID 62117859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).