(2R)-2-[[ethyl(2-hydroxyethyl)carbamoyl]amino]-4-methylpentanoic acid

C11H22N2O4 — CID 78976504

IUPAC(2R)-2-[[ethyl(2-hydroxyethyl)carbamoyl]amino]-4-methylpentanoic acid
SMILESCCN(CCO)C(=O)N[C@H](CC(C)C)C(=O)O
InChIInChI=1S/C11H22N2O4/c1-4-13(5-6-14)11(17)12-9(10(15)16)7-8(2)3/h8-9,14H,4-7H2,1-3H3,(H,12,17)(H,15,16)/t9-/m1/s1
InChIKeyAUSOVTAGVSUDOC-SECBINFHSA-N
MW246.31 g/mol
LogP0.51
Rot. Bonds7

About (2R)-2-[[ethyl(2-hydroxyethyl)carbamoyl]amino]-4-methylpentanoic acid

(2R)-2-[[ethyl(2-hydroxyethyl)carbamoyl]amino]-4-methylpentanoic acid (PubChem CID 78976504) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is (2R)-2-[[ethyl(2-hydroxyethyl)carbamoyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-[[ethyl(2-hydroxyethyl)carbamoyl]amino]-4-methylpentanoic acid
PubChem CID78976504
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Name(2R)-2-[[ethyl(2-hydroxyethyl)carbamoyl]amino]-4-methylpentanoic acid
SMILESCCN(CCO)C(=O)N[C@H](CC(C)C)C(=O)O
InChIInChI=1S/C11H22N2O4/c1-4-13(5-6-14)11(17)12-9(10(15)16)7-8(2)3/h8-9,14H,4-7H2,1-3H3,(H,12,17)(H,15,16)/t9-/m1/s1
InChIKeyAUSOVTAGVSUDOC-SECBINFHSA-N
XLogP0.51
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[butyl(ethyl)carbamoyl]amino]-4-methylpentanoic acid
CID 61185864
(2S)-2-[[ethyl(2-methoxyethyl)carbamoyl]amino]-4-methylpentanoic acid
CID 54947939
(2R)-2-[[ethyl(2-methylpropyl)carbamoyl]amino]-4-methylpentanoic acid
CID 78976291
(2S)-2-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]-4-methylpentanoic acid
CID 107481610
2-[[ethyl(2-ethylbutyl)carbamoyl]amino]-4-methylpentanoic acid
CID 61437733
(2R)-2-[[ethyl(2-hydroxyethyl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107826443
2-[[ethyl(2-hydroxyethyl)carbamoyl]amino]-4-methylsulfonylbutanoic acid
CID 61207451
2-[[2-[ethyl(2-hydroxyethyl)amino]acetyl]amino]-4-methylpentanoic acid
CID 82042455
6-[[ethyl(2-hydroxyethyl)carbamoyl]amino]-2-methylheptanoic acid
CID 65289849
3-[[ethyl(2-hydroxyethyl)carbamoyl]amino]butanoic acid
CID 61208407
(2R)-2-[[ethyl(propan-2-yl)carbamoyl]amino]-4-methylpentanoic acid
CID 78976183
2-(dimethylcarbamoylamino)-4-methylpentanoic acid
CID 61194019

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[ethyl(2-hydroxyethyl)carbamoyl]amino]-4-methylpentanoic acid?
The IUPAC name of (2R)-2-[[ethyl(2-hydroxyethyl)carbamoyl]amino]-4-methylpentanoic acid (CID 78976504) is (2R)-2-[[ethyl(2-hydroxyethyl)carbamoyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for (2R)-2-[[ethyl(2-hydroxyethyl)carbamoyl]amino]-4-methylpentanoic acid?
The canonical SMILES for (2R)-2-[[ethyl(2-hydroxyethyl)carbamoyl]amino]-4-methylpentanoic acid is CCN(CCO)C(=O)N[C@H](CC(C)C)C(=O)O.
What is the InChIKey of (2R)-2-[[ethyl(2-hydroxyethyl)carbamoyl]amino]-4-methylpentanoic acid?
The InChIKey is AUSOVTAGVSUDOC-SECBINFHSA-N. The full InChI is InChI=1S/C11H22N2O4/c1-4-13(5-6-14)11(17)12-9(10(15)16)7-8(2)3/h8-9,14H,4-7H2,1-3H3,(H,12,17)(H,15,16)/t9-/m1/s1.
What are the key properties of (2R)-2-[[ethyl(2-hydroxyethyl)carbamoyl]amino]-4-methylpentanoic acid?
(2R)-2-[[ethyl(2-hydroxyethyl)carbamoyl]amino]-4-methylpentanoic acid has a molecular weight of 246.31 g/mol, XLogP of 0.51, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[ethyl(2-hydroxyethyl)carbamoyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 78976504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).