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

C12H21NO3 — CID 124824414

IUPACmethyl (2S,3S)-3-methyl-2-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]pentanoate
SMILESCC[C@H](C)[C@H](NC(=O)[C@@H]1C[C@H]1C)C(=O)OC
InChIInChI=1S/C12H21NO3/c1-5-7(2)10(12(15)16-4)13-11(14)9-6-8(9)3/h7-10H,5-6H2,1-4H3,(H,13,14)/t7-,8+,9+,10-/m0/s1
InChIKeyGCUPWZOCRWJRMR-JLIMGVALSA-N
MW227.30 g/mol
LogP1.35
Rot. Bonds5

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

methyl (2S,3S)-3-methyl-2-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]pentanoate (PubChem CID 124824414) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is methyl (2S,3S)-3-methyl-2-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]pentanoate.

Molecular Properties

Compound Namemethyl (2S,3S)-3-methyl-2-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]pentanoate
PubChem CID124824414
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Namemethyl (2S,3S)-3-methyl-2-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]pentanoate
SMILESCC[C@H](C)[C@H](NC(=O)[C@@H]1C[C@H]1C)C(=O)OC
InChIInChI=1S/C12H21NO3/c1-5-7(2)10(12(15)16-4)13-11(14)9-6-8(9)3/h7-10H,5-6H2,1-4H3,(H,13,14)/t7-,8+,9+,10-/m0/s1
InChIKeyGCUPWZOCRWJRMR-JLIMGVALSA-N
XLogP1.35
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

methyl 3-methyl-2-[(2-methylcyclopropanecarbonyl)amino]butanoate
CID 43422631
methyl (2S,3R)-2-[[(1R,2R)-2-[[(2S,3R)-1-methoxy-3-methyl-1-oxopentan-2-yl]carbamoyl]cyclopentanecarbonyl]amino]-3-methylpentanoate
CID 174067701
methyl 2-[(2-aminocyclohexanecarbonyl)amino]-3-methylpentanoate
CID 64823561
methyl 4-methyl-2-[(2-methylcyclopropanecarbonyl)amino]pentanoate
CID 43404380
(2R,5S)-5-[(1-methoxy-3-methyl-1-oxopentan-2-yl)carbamoyl]oxolane-2-carboxylic acid
CID 102944751
methyl 3-methyl-2-(pyrrolidine-2-carbonylamino)pentanoate
CID 14278857
methyl 2-[(3,5-dimethylcyclohexyl)amino]-3-methylpentanoate
CID 64753370
methyl 3-methyl-2-[[(2S)-piperidine-2-carbonyl]amino]pentanoate
CID 104913149
3-methyl-2-[(2-methylcyclopentanecarbonyl)amino]pentanoic acid
CID 107175072
methyl 2-[[(2S)-2-aminopropanoyl]amino]-3-methylpentanoate
CID 61146510
5-amino-2-methyl-N-(3-methylpentan-2-yl)cyclohexane-1-carboxamide
CID 62782261
(2S,3R)-3-hydroxy-2-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]butanoic acid
CID 93098157

Frequently Asked Questions

What is the IUPAC name of methyl (2S,3S)-3-methyl-2-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]pentanoate?
The IUPAC name of methyl (2S,3S)-3-methyl-2-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]pentanoate (CID 124824414) is methyl (2S,3S)-3-methyl-2-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]pentanoate.
What is the SMILES notation for methyl (2S,3S)-3-methyl-2-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]pentanoate?
The canonical SMILES for methyl (2S,3S)-3-methyl-2-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]pentanoate is CC[C@H](C)[C@H](NC(=O)[C@@H]1C[C@H]1C)C(=O)OC.
What is the InChIKey of methyl (2S,3S)-3-methyl-2-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]pentanoate?
The InChIKey is GCUPWZOCRWJRMR-JLIMGVALSA-N. The full InChI is InChI=1S/C12H21NO3/c1-5-7(2)10(12(15)16-4)13-11(14)9-6-8(9)3/h7-10H,5-6H2,1-4H3,(H,13,14)/t7-,8+,9+,10-/m0/s1.
What are the key properties of methyl (2S,3S)-3-methyl-2-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]pentanoate?
methyl (2S,3S)-3-methyl-2-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]pentanoate has a molecular weight of 227.30 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,3S)-3-methyl-2-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]pentanoate is sourced from PubChem (CID 124824414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).