(3R)-3-methyl-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]pentanoic acid

C11H19NO3 — CID 129446298

IUPAC(3R)-3-methyl-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]pentanoic acid
SMILESCC[C@](C)(CC(=O)O)NC(=O)[C@H]1C[C@H]1C
InChIInChI=1S/C11H19NO3/c1-4-11(3,6-9(13)14)12-10(15)8-5-7(8)2/h7-8H,4-6H2,1-3H3,(H,12,15)(H,13,14)/t7-,8+,11-/m1/s1
InChIKeyRQWZKMWZZVGNCL-VHSKPIJISA-N
MW213.28 g/mol
LogP1.40
Rot. Bonds5

About (3R)-3-methyl-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]pentanoic acid

(3R)-3-methyl-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]pentanoic acid (PubChem CID 129446298) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is (3R)-3-methyl-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]pentanoic acid.

Molecular Properties

Compound Name(3R)-3-methyl-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]pentanoic acid
PubChem CID129446298
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name(3R)-3-methyl-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]pentanoic acid
SMILESCC[C@](C)(CC(=O)O)NC(=O)[C@H]1C[C@H]1C
InChIInChI=1S/C11H19NO3/c1-4-11(3,6-9(13)14)12-10(15)8-5-7(8)2/h7-8H,4-6H2,1-3H3,(H,12,15)(H,13,14)/t7-,8+,11-/m1/s1
InChIKeyRQWZKMWZZVGNCL-VHSKPIJISA-N
XLogP1.40
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3R)-3-methyl-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]pentanoic acid with MolForge

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Related Compounds

(3R)-3-[[(1S,2S)-2-cyclopropylcyclopropanecarbonyl]amino]-3-methylpentanoic acid
CID 125148612
(3R)-3-methyl-3-[[(1S,2R,4S,5S)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]pentanoic acid
CID 98891185
3-(3-cyclopropylpropanoylamino)-3-methylpentanoic acid
CID 115730882
2-[(1-hydroxy-2-methylbutan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103978846
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-methylcyclopropane-1-carboxamide
CID 103895464
(3R)-3-methyl-3-[[(3R)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]pentanoic acid
CID 124685172
3-methyl-3-(2-methylbutanoylamino)pentanoic acid
CID 84589310
N-(4-hydroxy-2-methylbutan-2-yl)-2-methylcyclopropane-1-carboxamide
CID 115870127
N-(1-bromo-2-methylbutan-2-yl)-2-phenylcyclopropane-1-carboxamide
CID 113275566
(3S)-3-[[(1R,2R)-2-cyclopropylcyclopropanecarbonyl]amino]-4-methoxy-3-methylbutanoic acid
CID 124684943
cis-(1S,2R)-2-[(1-hydroxy-3-methylpentan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 106167862
2,3-dimethyl-2-[(2-methylcyclopropanecarbonyl)amino]butanoic acid
CID 115910203

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]pentanoic acid?
The IUPAC name of (3R)-3-methyl-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]pentanoic acid (CID 129446298) is (3R)-3-methyl-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]pentanoic acid.
What is the SMILES notation for (3R)-3-methyl-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]pentanoic acid?
The canonical SMILES for (3R)-3-methyl-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]pentanoic acid is CC[C@](C)(CC(=O)O)NC(=O)[C@H]1C[C@H]1C.
What is the InChIKey of (3R)-3-methyl-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]pentanoic acid?
The InChIKey is RQWZKMWZZVGNCL-VHSKPIJISA-N. The full InChI is InChI=1S/C11H19NO3/c1-4-11(3,6-9(13)14)12-10(15)8-5-7(8)2/h7-8H,4-6H2,1-3H3,(H,12,15)(H,13,14)/t7-,8+,11-/m1/s1.
What are the key properties of (3R)-3-methyl-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]pentanoic acid?
(3R)-3-methyl-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]pentanoic acid has a molecular weight of 213.28 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]pentanoic acid is sourced from PubChem (CID 129446298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).