(2S,3S)-3-methyl-2-(2-methylpropanoylamino)pentanoic acid

C10H19NO3 — CID 30050139

IUPAC(2S,3S)-3-methyl-2-(2-methylpropanoylamino)pentanoic acid
SMILESCC[C@H](C)[C@H](NC(=O)C(C)C)C(=O)O
InChIInChI=1S/C10H19NO3/c1-5-7(4)8(10(13)14)11-9(12)6(2)3/h6-8H,5H2,1-4H3,(H,11,12)(H,13,14)/t7-,8-/m0/s1
InChIKeyATRGKXZTLQYPBV-YUMQZZPRSA-N
MW201.27 g/mol
LogP1.26
Rot. Bonds5

About (2S,3S)-3-methyl-2-(2-methylpropanoylamino)pentanoic acid

(2S,3S)-3-methyl-2-(2-methylpropanoylamino)pentanoic acid (PubChem CID 30050139) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is (2S,3S)-3-methyl-2-(2-methylpropanoylamino)pentanoic acid.

Molecular Properties

Compound Name(2S,3S)-3-methyl-2-(2-methylpropanoylamino)pentanoic acid
PubChem CID30050139
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name(2S,3S)-3-methyl-2-(2-methylpropanoylamino)pentanoic acid
SMILESCC[C@H](C)[C@H](NC(=O)C(C)C)C(=O)O
InChIInChI=1S/C10H19NO3/c1-5-7(4)8(10(13)14)11-9(12)6(2)3/h6-8H,5H2,1-4H3,(H,11,12)(H,13,14)/t7-,8-/m0/s1
InChIKeyATRGKXZTLQYPBV-YUMQZZPRSA-N
XLogP1.26
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(2-ethylbutanoylamino)-3-methylpentanoic acid
CID 61173595
2-(carboxyamino)-3-methylpentanoic acid
CID 19101858
2-(2-aminobutanoylamino)-3-methylpentanoic acid
CID 3625226
(2S)-2-[(2-amino-3-methylbutanoyl)amino]-3-methylpentanoic acid
CID 61174009
2-[(3-amino-2-methylpropanoyl)amino]-3-methylpentanoic acid
CID 62669281
2-(2-acetamidopropanoylamino)-3-methylpentanoic acid
CID 19431410
(2S,3S)-2-[(2-acetamido-3-methylbutanoyl)amino]-3-methylpentanoic acid
CID 61137926
2-[(2-acetamido-3-methylbutanoyl)amino]-3-methylpentanoic acid
CID 43171197
2-[(4-amino-2-methylbutanoyl)amino]-3-methylpentanoic acid
CID 80543638
(2S,3S)-2-[(2-amino-4-methylpentanoyl)amino]-3-methylpentanoic acid
CID 61173670
3-methyl-2-[(2,2,2-trichloroacetyl)amino]pentanoic acid
CID 21402667
(2S,3S)-2-(2-butoxypropanoylamino)-3-methylpentanoic acid
CID 119194057

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-methyl-2-(2-methylpropanoylamino)pentanoic acid?
The IUPAC name of (2S,3S)-3-methyl-2-(2-methylpropanoylamino)pentanoic acid (CID 30050139) is (2S,3S)-3-methyl-2-(2-methylpropanoylamino)pentanoic acid.
What is the SMILES notation for (2S,3S)-3-methyl-2-(2-methylpropanoylamino)pentanoic acid?
The canonical SMILES for (2S,3S)-3-methyl-2-(2-methylpropanoylamino)pentanoic acid is CC[C@H](C)[C@H](NC(=O)C(C)C)C(=O)O.
What is the InChIKey of (2S,3S)-3-methyl-2-(2-methylpropanoylamino)pentanoic acid?
The InChIKey is ATRGKXZTLQYPBV-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H19NO3/c1-5-7(4)8(10(13)14)11-9(12)6(2)3/h6-8H,5H2,1-4H3,(H,11,12)(H,13,14)/t7-,8-/m0/s1.
What are the key properties of (2S,3S)-3-methyl-2-(2-methylpropanoylamino)pentanoic acid?
(2S,3S)-3-methyl-2-(2-methylpropanoylamino)pentanoic acid has a molecular weight of 201.27 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-methyl-2-(2-methylpropanoylamino)pentanoic acid is sourced from PubChem (CID 30050139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).