(4R)-5-amino-4-methyl-5-oxopentanoic acid

C6H11NO3 — CID 170269048

IUPAC(4R)-5-amino-4-methyl-5-oxopentanoic acid
SMILESC[C@H](CCC(=O)O)C(N)=O
InChIInChI=1S/C6H11NO3/c1-4(6(7)10)2-3-5(8)9/h4H,2-3H2,1H3,(H2,7,10)(H,8,9)/t4-/m1/s1
InChIKeyXWBFWUVUWQLRKB-SCSAIBSYSA-N
MW145.16 g/mol
LogP-0.03
Rot. Bonds4

About (4R)-5-amino-4-methyl-5-oxopentanoic acid

(4R)-5-amino-4-methyl-5-oxopentanoic acid (PubChem CID 170269048) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is (4R)-5-amino-4-methyl-5-oxopentanoic acid.

Molecular Properties

Compound Name(4R)-5-amino-4-methyl-5-oxopentanoic acid
PubChem CID170269048
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name(4R)-5-amino-4-methyl-5-oxopentanoic acid
SMILESC[C@H](CCC(=O)O)C(N)=O
InChIInChI=1S/C6H11NO3/c1-4(6(7)10)2-3-5(8)9/h4H,2-3H2,1H3,(H2,7,10)(H,8,9)/t4-/m1/s1
InChIKeyXWBFWUVUWQLRKB-SCSAIBSYSA-N
XLogP-0.03
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methylpentanediamide
CID 19688970
(2R)-2-methylpentanediamide
CID 90202517
N',2-dimethylpentanediamide
CID 21268064
(4S)-5-amino-4-(butan-2-ylamino)-5-oxopentanoic acid
CID 87360410
4-acetamido-5-amino-5-oxopentanoic acid
CID 23273726
(4R)-5-(carbamoylamino)-4-methyl-5-oxopentanoic acid
CID 137467884
calcium;hydride;2-methylpentanedioic acid
CID 173414295
(4R)-5-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-5-oxopentanoic acid
CID 166997811
4-hydrazinyl-5-oxohexanoic acid
CID 88944319
(2R)-4-hydroxy-2-methylbutanamide
CID 89453282
(2S)-4-amino-2-methylbutanamide
CID 87412339
5-amino-4-(2,4-dimethylpentanoylamino)-5-oxopentanoic acid
CID 170732658

Frequently Asked Questions

What is the IUPAC name of (4R)-5-amino-4-methyl-5-oxopentanoic acid?
The IUPAC name of (4R)-5-amino-4-methyl-5-oxopentanoic acid (CID 170269048) is (4R)-5-amino-4-methyl-5-oxopentanoic acid.
What is the SMILES notation for (4R)-5-amino-4-methyl-5-oxopentanoic acid?
The canonical SMILES for (4R)-5-amino-4-methyl-5-oxopentanoic acid is C[C@H](CCC(=O)O)C(N)=O.
What is the InChIKey of (4R)-5-amino-4-methyl-5-oxopentanoic acid?
The InChIKey is XWBFWUVUWQLRKB-SCSAIBSYSA-N. The full InChI is InChI=1S/C6H11NO3/c1-4(6(7)10)2-3-5(8)9/h4H,2-3H2,1H3,(H2,7,10)(H,8,9)/t4-/m1/s1.
What are the key properties of (4R)-5-amino-4-methyl-5-oxopentanoic acid?
(4R)-5-amino-4-methyl-5-oxopentanoic acid has a molecular weight of 145.16 g/mol, XLogP of -0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-amino-4-methyl-5-oxopentanoic acid is sourced from PubChem (CID 170269048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).