(2S,3S)-2-[(2-methoxy-2-methylpropanoyl)amino]-3-methylpentanoic acid

C11H21NO4 — CID 103018390

IUPAC(2S,3S)-2-[(2-methoxy-2-methylpropanoyl)amino]-3-methylpentanoic acid
SMILESCC[C@H](C)[C@H](NC(=O)C(C)(C)OC)C(=O)O
InChIInChI=1S/C11H21NO4/c1-6-7(2)8(9(13)14)12-10(15)11(3,4)16-5/h7-8H,6H2,1-5H3,(H,12,15)(H,13,14)/t7-,8-/m0/s1
InChIKeyZFBMXYSNXRQCKZ-YUMQZZPRSA-N
MW231.29 g/mol
LogP1.03
Rot. Bonds6

About (2S,3S)-2-[(2-methoxy-2-methylpropanoyl)amino]-3-methylpentanoic acid

(2S,3S)-2-[(2-methoxy-2-methylpropanoyl)amino]-3-methylpentanoic acid (PubChem CID 103018390) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is (2S,3S)-2-[(2-methoxy-2-methylpropanoyl)amino]-3-methylpentanoic acid.

Molecular Properties

Compound Name(2S,3S)-2-[(2-methoxy-2-methylpropanoyl)amino]-3-methylpentanoic acid
PubChem CID103018390
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name(2S,3S)-2-[(2-methoxy-2-methylpropanoyl)amino]-3-methylpentanoic acid
SMILESCC[C@H](C)[C@H](NC(=O)C(C)(C)OC)C(=O)O
InChIInChI=1S/C11H21NO4/c1-6-7(2)8(9(13)14)12-10(15)11(3,4)16-5/h7-8H,6H2,1-5H3,(H,12,15)(H,13,14)/t7-,8-/m0/s1
InChIKeyZFBMXYSNXRQCKZ-YUMQZZPRSA-N
XLogP1.03
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2-[(2,2,2-trichloroacetyl)amino]pentanoic acid
CID 21402667
2-(carboxyamino)-3-methylpentanoic acid
CID 19101858
(2S,3S)-2-(3,3-dimethylbutanoylamino)-3-methylpentanoic acid
CID 30077393
(2S,3R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;hydrate
CID 87795968
(2S,3S)-3-methyl-2-(2-methylpropanoylamino)pentanoic acid
CID 30050139
N-[(2S)-1-hydroxybutan-2-yl]-2-methoxy-2-methylpropanamide
CID 105342956
(2S)-2-[[2-(tert-butylamino)-2-oxoethyl]carbamoylamino]-3-methylpentanoic acid
CID 115356620
(2S)-2-(2-ethylbutanoylamino)-3-methylpentanoic acid
CID 61173595
(2S,3S)-3-methyl-2-[(2-methyl-2-piperazin-1-ylpropanoyl)amino]pentanoic acid
CID 80548885
(2S,3S)-2-(butan-2-ylcarbamoylamino)-3-methylpentanoic acid
CID 61188822
2-[(2-fluoroacetyl)amino]-3-methylpentanoic acid
CID 139416074
(2S,3S)-3-methyl-2-(3-methylpentan-2-ylcarbamoylamino)pentanoic acid
CID 54955257

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-[(2-methoxy-2-methylpropanoyl)amino]-3-methylpentanoic acid?
The IUPAC name of (2S,3S)-2-[(2-methoxy-2-methylpropanoyl)amino]-3-methylpentanoic acid (CID 103018390) is (2S,3S)-2-[(2-methoxy-2-methylpropanoyl)amino]-3-methylpentanoic acid.
What is the SMILES notation for (2S,3S)-2-[(2-methoxy-2-methylpropanoyl)amino]-3-methylpentanoic acid?
The canonical SMILES for (2S,3S)-2-[(2-methoxy-2-methylpropanoyl)amino]-3-methylpentanoic acid is CC[C@H](C)[C@H](NC(=O)C(C)(C)OC)C(=O)O.
What is the InChIKey of (2S,3S)-2-[(2-methoxy-2-methylpropanoyl)amino]-3-methylpentanoic acid?
The InChIKey is ZFBMXYSNXRQCKZ-YUMQZZPRSA-N. The full InChI is InChI=1S/C11H21NO4/c1-6-7(2)8(9(13)14)12-10(15)11(3,4)16-5/h7-8H,6H2,1-5H3,(H,12,15)(H,13,14)/t7-,8-/m0/s1.
What are the key properties of (2S,3S)-2-[(2-methoxy-2-methylpropanoyl)amino]-3-methylpentanoic acid?
(2S,3S)-2-[(2-methoxy-2-methylpropanoyl)amino]-3-methylpentanoic acid has a molecular weight of 231.29 g/mol, XLogP of 1.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-[(2-methoxy-2-methylpropanoyl)amino]-3-methylpentanoic acid is sourced from PubChem (CID 103018390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).