methyl (2S,3S)-3-methyl-2-[(2-pyrrolidin-2-ylacetyl)amino]pentanoate;hydrochloride

C13H25ClN2O3 — CID 119748439

IUPACmethyl (2S,3S)-3-methyl-2-[(2-pyrrolidin-2-ylacetyl)amino]pentanoate;hydrochloride
SMILESCC[C@H](C)[C@H](NC(=O)CC1CCCN1)C(=O)OC.Cl
InChIInChI=1S/C13H24N2O3.ClH/c1-4-9(2)12(13(17)18-3)15-11(16)8-10-6-5-7-14-10;/h9-10,12,14H,4-8H2,1-3H3,(H,15,16);1H/t9-,10?,12-;/m0./s1
InChIKeyNEFUGHYSGYULRR-FMDYATEQSA-N
MW292.81 g/mol
LogP1.25
Rot. Bonds6

About methyl (2S,3S)-3-methyl-2-[(2-pyrrolidin-2-ylacetyl)amino]pentanoate;hydrochloride

methyl (2S,3S)-3-methyl-2-[(2-pyrrolidin-2-ylacetyl)amino]pentanoate;hydrochloride (PubChem CID 119748439) has the molecular formula C13H25ClN2O3 and a molecular weight of 292.81 g/mol. Its IUPAC name is methyl (2S,3S)-3-methyl-2-[(2-pyrrolidin-2-ylacetyl)amino]pentanoate;hydrochloride.

Molecular Properties

Compound Namemethyl (2S,3S)-3-methyl-2-[(2-pyrrolidin-2-ylacetyl)amino]pentanoate;hydrochloride
PubChem CID119748439
Molecular FormulaC13H25ClN2O3
Molecular Weight292.81 g/mol
Exact Mass292.16
IUPAC Namemethyl (2S,3S)-3-methyl-2-[(2-pyrrolidin-2-ylacetyl)amino]pentanoate;hydrochloride
SMILESCC[C@H](C)[C@H](NC(=O)CC1CCCN1)C(=O)OC.Cl
InChIInChI=1S/C13H24N2O3.ClH/c1-4-9(2)12(13(17)18-3)15-11(16)8-10-6-5-7-14-10;/h9-10,12,14H,4-8H2,1-3H3,(H,15,16);1H/t9-,10?,12-;/m0./s1
InChIKeyNEFUGHYSGYULRR-FMDYATEQSA-N
XLogP1.25
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl (2S,3S)-3-methyl-2-[(2-pyrrolidin-2-ylacetyl)amino]pentanoate;hydrochloride with MolForge

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Related Compounds

methyl (2R)-2-[(2-pyrrolidin-2-ylacetyl)amino]propanoate;hydrochloride
CID 119781300
N-(3-methylpentan-2-yl)-2-piperidin-2-ylacetamide
CID 61463782
methyl 3-methyl-2-(pyrrolidine-2-carbonylamino)pentanoate
CID 14278857
methyl 2-[1-(azepan-2-yl)propan-2-ylamino]-3-methylpentanoate
CID 79560878
methyl 3-methyl-2-[[(2S)-piperidine-2-carbonyl]amino]pentanoate
CID 104913149
methyl 2-phenyl-2-[(2-pyrrolidin-2-ylacetyl)amino]acetate;hydrochloride
CID 119707961
N-(1-ethylsulfonylpropan-2-yl)-2-pyrrolidin-2-ylacetamide
CID 119786793
methyl 2-methyl-3-phenyl-3-[(2-pyrrolidin-2-ylacetyl)amino]propanoate
CID 119818568
N-(1-ethylsulfanylpropan-2-yl)-2-pyrrolidin-2-ylacetamide
CID 115739941
N-butan-2-yl-3-[(2-pyrrolidin-2-ylacetyl)amino]propanamide;hydrochloride
CID 119737602
N-(dicyclopropylmethyl)-2-pyrrolidin-2-ylacetamide
CID 61366652
N-(3-methoxy-2-methylpropyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119752490

Frequently Asked Questions

What is the IUPAC name of methyl (2S,3S)-3-methyl-2-[(2-pyrrolidin-2-ylacetyl)amino]pentanoate;hydrochloride?
The IUPAC name of methyl (2S,3S)-3-methyl-2-[(2-pyrrolidin-2-ylacetyl)amino]pentanoate;hydrochloride (CID 119748439) is methyl (2S,3S)-3-methyl-2-[(2-pyrrolidin-2-ylacetyl)amino]pentanoate;hydrochloride.
What is the SMILES notation for methyl (2S,3S)-3-methyl-2-[(2-pyrrolidin-2-ylacetyl)amino]pentanoate;hydrochloride?
The canonical SMILES for methyl (2S,3S)-3-methyl-2-[(2-pyrrolidin-2-ylacetyl)amino]pentanoate;hydrochloride is CC[C@H](C)[C@H](NC(=O)CC1CCCN1)C(=O)OC.Cl.
What is the InChIKey of methyl (2S,3S)-3-methyl-2-[(2-pyrrolidin-2-ylacetyl)amino]pentanoate;hydrochloride?
The InChIKey is NEFUGHYSGYULRR-FMDYATEQSA-N. The full InChI is InChI=1S/C13H24N2O3.ClH/c1-4-9(2)12(13(17)18-3)15-11(16)8-10-6-5-7-14-10;/h9-10,12,14H,4-8H2,1-3H3,(H,15,16);1H/t9-,10?,12-;/m0./s1.
What are the key properties of methyl (2S,3S)-3-methyl-2-[(2-pyrrolidin-2-ylacetyl)amino]pentanoate;hydrochloride?
methyl (2S,3S)-3-methyl-2-[(2-pyrrolidin-2-ylacetyl)amino]pentanoate;hydrochloride has a molecular weight of 292.81 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,3S)-3-methyl-2-[(2-pyrrolidin-2-ylacetyl)amino]pentanoate;hydrochloride is sourced from PubChem (CID 119748439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).