(3R)-3-(2-amino-2-oxoethyl)-6-methyl-5-propan-2-ylheptanoic acid

C13H25NO3 — CID 163670628

IUPAC(3R)-3-(2-amino-2-oxoethyl)-6-methyl-5-propan-2-ylheptanoic acid
SMILESCC(C)C(C[C@H](CC(N)=O)CC(=O)O)C(C)C
InChIInChI=1S/C13H25NO3/c1-8(2)11(9(3)4)5-10(6-12(14)15)7-13(16)17/h8-11H,5-7H2,1-4H3,(H2,14,15)(H,16,17)/t10-/m1/s1
InChIKeyJCEVTAQFHKVULZ-SNVBAGLBSA-N
MW243.35 g/mol
LogP2.27
Rot. Bonds8

About (3R)-3-(2-amino-2-oxoethyl)-6-methyl-5-propan-2-ylheptanoic acid

(3R)-3-(2-amino-2-oxoethyl)-6-methyl-5-propan-2-ylheptanoic acid (PubChem CID 163670628) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is (3R)-3-(2-amino-2-oxoethyl)-6-methyl-5-propan-2-ylheptanoic acid.

Molecular Properties

Compound Name(3R)-3-(2-amino-2-oxoethyl)-6-methyl-5-propan-2-ylheptanoic acid
PubChem CID163670628
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name(3R)-3-(2-amino-2-oxoethyl)-6-methyl-5-propan-2-ylheptanoic acid
SMILESCC(C)C(C[C@H](CC(N)=O)CC(=O)O)C(C)C
InChIInChI=1S/C13H25NO3/c1-8(2)11(9(3)4)5-10(6-12(14)15)7-13(16)17/h8-11H,5-7H2,1-4H3,(H2,14,15)(H,16,17)/t10-/m1/s1
InChIKeyJCEVTAQFHKVULZ-SNVBAGLBSA-N
XLogP2.27
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-5-amino-3-methyl-5-oxopentanoic acid
CID 55285544
5-methyl-3-(2-methylpropyl)hexanamide
CID 87709322
(3R)-3-(2-amino-2-oxoethyl)-5-methylhexanoic acid;(3S)-oct-1-en-3-amine
CID 87267021
azanium (3R)-3-(2-amino-2-oxoethyl)-5-methylhexanoate
CID 23653061
(3S)-3-(2-methylpropyl)-5-oxohexanoic acid;(3R)-3-(2-methylpropyl)-5-oxohexanoic acid;3-(2-methylpropyl)pentanedioic acid
CID 161158229
3-(aminomethyl)-5-methylhexanoic acid
CID 4715169
3-amino-4,5-diethyl-6-methylheptanoic acid
CID 11321870
3-methylbutanamide
CID 87933309
potassium;(3S)-3-(aminomethyl)-5-methylhexanoic acid;hydride
CID 172995124
sodium;(3S)-3-(aminomethyl)-5-methylhexanoic acid;hydride
CID 173084628
2,6-diamino-4-ethyl-6-oxohexanoic acid
CID 87815600
hydrazine;3-methylbutanoic acid
CID 175217584

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2-amino-2-oxoethyl)-6-methyl-5-propan-2-ylheptanoic acid?
The IUPAC name of (3R)-3-(2-amino-2-oxoethyl)-6-methyl-5-propan-2-ylheptanoic acid (CID 163670628) is (3R)-3-(2-amino-2-oxoethyl)-6-methyl-5-propan-2-ylheptanoic acid.
What is the SMILES notation for (3R)-3-(2-amino-2-oxoethyl)-6-methyl-5-propan-2-ylheptanoic acid?
The canonical SMILES for (3R)-3-(2-amino-2-oxoethyl)-6-methyl-5-propan-2-ylheptanoic acid is CC(C)C(C[C@H](CC(N)=O)CC(=O)O)C(C)C.
What is the InChIKey of (3R)-3-(2-amino-2-oxoethyl)-6-methyl-5-propan-2-ylheptanoic acid?
The InChIKey is JCEVTAQFHKVULZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H25NO3/c1-8(2)11(9(3)4)5-10(6-12(14)15)7-13(16)17/h8-11H,5-7H2,1-4H3,(H2,14,15)(H,16,17)/t10-/m1/s1.
What are the key properties of (3R)-3-(2-amino-2-oxoethyl)-6-methyl-5-propan-2-ylheptanoic acid?
(3R)-3-(2-amino-2-oxoethyl)-6-methyl-5-propan-2-ylheptanoic acid has a molecular weight of 243.35 g/mol, XLogP of 2.27, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2-amino-2-oxoethyl)-6-methyl-5-propan-2-ylheptanoic acid is sourced from PubChem (CID 163670628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).