(2R)-2-(dipropylcarbamoylamino)-4-hydroxybutanoic acid

C11H22N2O4 — CID 107825581

IUPAC(2R)-2-(dipropylcarbamoylamino)-4-hydroxybutanoic acid
SMILESCCCN(CCC)C(=O)N[C@H](CCO)C(=O)O
InChIInChI=1S/C11H22N2O4/c1-3-6-13(7-4-2)11(17)12-9(5-8-14)10(15)16/h9,14H,3-8H2,1-2H3,(H,12,17)(H,15,16)/t9-/m1/s1
InChIKeyOBROXKSLSXXZGA-SECBINFHSA-N
MW246.31 g/mol
LogP0.65
Rot. Bonds8

About (2R)-2-(dipropylcarbamoylamino)-4-hydroxybutanoic acid

(2R)-2-(dipropylcarbamoylamino)-4-hydroxybutanoic acid (PubChem CID 107825581) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is (2R)-2-(dipropylcarbamoylamino)-4-hydroxybutanoic acid.

Molecular Properties

Compound Name(2R)-2-(dipropylcarbamoylamino)-4-hydroxybutanoic acid
PubChem CID107825581
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Name(2R)-2-(dipropylcarbamoylamino)-4-hydroxybutanoic acid
SMILESCCCN(CCC)C(=O)N[C@H](CCO)C(=O)O
InChIInChI=1S/C11H22N2O4/c1-3-6-13(7-4-2)11(17)12-9(5-8-14)10(15)16/h9,14H,3-8H2,1-2H3,(H,12,17)(H,15,16)/t9-/m1/s1
InChIKeyOBROXKSLSXXZGA-SECBINFHSA-N
XLogP0.65
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]-4-hydroxybutanoic acid
CID 114005579
(2S)-2-(dipropylcarbamoylamino)hexanoic acid
CID 107145276
(2R)-2-[[cyclopropyl(propyl)carbamoyl]amino]-4-hydroxybutanoic acid
CID 107826087
4-amino-2-[[2-hydroxyethyl(propyl)carbamoyl]amino]-4-oxobutanoic acid
CID 61426093
(2S)-4-hydroxy-2-[[2-hydroxyethyl(2-methoxyethyl)carbamoyl]amino]butanoic acid
CID 114005835
2-[[cyclopropyl(propyl)carbamoyl]amino]-4-hydroxybutanoic acid
CID 61228339
2-[[(2-amino-2-oxoethyl)-butylcarbamoyl]amino]-4-hydroxybutanoic acid
CID 55003401
(2S)-2-[[butan-2-yl(methyl)carbamoyl]amino]-4-hydroxybutanoic acid
CID 107826100
2-(dipropylcarbamoylamino)-3-methoxypropanoic acid
CID 81084585
2-[bis(2-hydroxyethyl)carbamoylamino]-4-methylsulfonylbutanoic acid
CID 61233958
(2S)-4-hydroxy-2-[[methyl(pentyl)carbamoyl]amino]butanoic acid
CID 107826115
2-[[butyl(2-hydroxyethyl)carbamoyl]amino]pentanedioic acid
CID 61447464

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(dipropylcarbamoylamino)-4-hydroxybutanoic acid?
The IUPAC name of (2R)-2-(dipropylcarbamoylamino)-4-hydroxybutanoic acid (CID 107825581) is (2R)-2-(dipropylcarbamoylamino)-4-hydroxybutanoic acid.
What is the SMILES notation for (2R)-2-(dipropylcarbamoylamino)-4-hydroxybutanoic acid?
The canonical SMILES for (2R)-2-(dipropylcarbamoylamino)-4-hydroxybutanoic acid is CCCN(CCC)C(=O)N[C@H](CCO)C(=O)O.
What is the InChIKey of (2R)-2-(dipropylcarbamoylamino)-4-hydroxybutanoic acid?
The InChIKey is OBROXKSLSXXZGA-SECBINFHSA-N. The full InChI is InChI=1S/C11H22N2O4/c1-3-6-13(7-4-2)11(17)12-9(5-8-14)10(15)16/h9,14H,3-8H2,1-2H3,(H,12,17)(H,15,16)/t9-/m1/s1.
What are the key properties of (2R)-2-(dipropylcarbamoylamino)-4-hydroxybutanoic acid?
(2R)-2-(dipropylcarbamoylamino)-4-hydroxybutanoic acid has a molecular weight of 246.31 g/mol, XLogP of 0.65, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(dipropylcarbamoylamino)-4-hydroxybutanoic acid is sourced from PubChem (CID 107825581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).