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

C13H26N2O3 — CID 78976291

IUPAC(2R)-2-[[ethyl(2-methylpropyl)carbamoyl]amino]-4-methylpentanoic acid
SMILESCCN(CC(C)C)C(=O)N[C@H](CC(C)C)C(=O)O
InChIInChI=1S/C13H26N2O3/c1-6-15(8-10(4)5)13(18)14-11(12(16)17)7-9(2)3/h9-11H,6-8H2,1-5H3,(H,14,18)(H,16,17)/t11-/m1/s1
InChIKeyFMPHROFJMBIRII-LLVKDONJSA-N
MW258.36 g/mol
LogP2.17
Rot. Bonds7

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

(2R)-2-[[ethyl(2-methylpropyl)carbamoyl]amino]-4-methylpentanoic acid (PubChem CID 78976291) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is (2R)-2-[[ethyl(2-methylpropyl)carbamoyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-[[ethyl(2-methylpropyl)carbamoyl]amino]-4-methylpentanoic acid
PubChem CID78976291
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name(2R)-2-[[ethyl(2-methylpropyl)carbamoyl]amino]-4-methylpentanoic acid
SMILESCCN(CC(C)C)C(=O)N[C@H](CC(C)C)C(=O)O
InChIInChI=1S/C13H26N2O3/c1-6-15(8-10(4)5)13(18)14-11(12(16)17)7-9(2)3/h9-11H,6-8H2,1-5H3,(H,14,18)(H,16,17)/t11-/m1/s1
InChIKeyFMPHROFJMBIRII-LLVKDONJSA-N
XLogP2.17
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[ethyl(2-ethylbutyl)carbamoyl]amino]-4-methylpentanoic acid
CID 61437733
(2R)-2-[[ethyl(2-hydroxyethyl)carbamoyl]amino]-4-methylpentanoic acid
CID 78976504
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(propan-2-yl)carbamoyl]amino]-4-methylpentanoic acid
CID 78976183
(2R)-2-[[2-cyanoethyl(2-methylpropyl)carbamoyl]amino]-4-methylpentanoic acid
CID 78976412
2-(dimethylcarbamoylamino)-4-methylpentanoic acid
CID 61194019
(2S)-2-[bis(2-amino-2-oxoethyl)carbamoylamino]-4-methylpentanoic acid
CID 78918601
6-[[ethyl(2-methylpropyl)carbamoyl]amino]-2-methylheptanoic acid
CID 65290123
4-methyl-2-[[methyl(propan-2-yl)carbamoyl]amino]pentanoic acid
CID 61181963
(2R)-2-[[cyclopropyl(ethyl)carbamoyl]amino]-4-methylpentanoic acid
CID 78976157
(2S)-2-[[ethyl(2-methylbutyl)carbamoyl]amino]pentanoic acid
CID 107567246

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[ethyl(2-methylpropyl)carbamoyl]amino]-4-methylpentanoic acid?
The IUPAC name of (2R)-2-[[ethyl(2-methylpropyl)carbamoyl]amino]-4-methylpentanoic acid (CID 78976291) is (2R)-2-[[ethyl(2-methylpropyl)carbamoyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for (2R)-2-[[ethyl(2-methylpropyl)carbamoyl]amino]-4-methylpentanoic acid?
The canonical SMILES for (2R)-2-[[ethyl(2-methylpropyl)carbamoyl]amino]-4-methylpentanoic acid is CCN(CC(C)C)C(=O)N[C@H](CC(C)C)C(=O)O.
What is the InChIKey of (2R)-2-[[ethyl(2-methylpropyl)carbamoyl]amino]-4-methylpentanoic acid?
The InChIKey is FMPHROFJMBIRII-LLVKDONJSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-6-15(8-10(4)5)13(18)14-11(12(16)17)7-9(2)3/h9-11H,6-8H2,1-5H3,(H,14,18)(H,16,17)/t11-/m1/s1.
What are the key properties of (2R)-2-[[ethyl(2-methylpropyl)carbamoyl]amino]-4-methylpentanoic acid?
(2R)-2-[[ethyl(2-methylpropyl)carbamoyl]amino]-4-methylpentanoic acid has a molecular weight of 258.36 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[ethyl(2-methylpropyl)carbamoyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 78976291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).