methyl 2-hydroxy-3-[(3-methylpyrrolidine-3-carbonyl)amino]propanoate

C10H18N2O4 — CID 107222737

IUPACmethyl 2-hydroxy-3-[(3-methylpyrrolidine-3-carbonyl)amino]propanoate
SMILESCOC(=O)C(O)CNC(=O)C1(C)CCNC1
InChIInChI=1S/C10H18N2O4/c1-10(3-4-11-6-10)9(15)12-5-7(13)8(14)16-2/h7,11,13H,3-6H2,1-2H3,(H,12,15)
InChIKeyNUDGJOSGYXBMQP-UHFFFAOYSA-N
MW230.26 g/mol
LogP-1.36
Rot. Bonds4

About methyl 2-hydroxy-3-[(3-methylpyrrolidine-3-carbonyl)amino]propanoate

methyl 2-hydroxy-3-[(3-methylpyrrolidine-3-carbonyl)amino]propanoate (PubChem CID 107222737) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is methyl 2-hydroxy-3-[(3-methylpyrrolidine-3-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-3-[(3-methylpyrrolidine-3-carbonyl)amino]propanoate
PubChem CID107222737
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Namemethyl 2-hydroxy-3-[(3-methylpyrrolidine-3-carbonyl)amino]propanoate
SMILESCOC(=O)C(O)CNC(=O)C1(C)CCNC1
InChIInChI=1S/C10H18N2O4/c1-10(3-4-11-6-10)9(15)12-5-7(13)8(14)16-2/h7,11,13H,3-6H2,1-2H3,(H,12,15)
InChIKeyNUDGJOSGYXBMQP-UHFFFAOYSA-N
XLogP-1.36
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-1.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-amino-2-hydroxy-3-oxopropyl)-3-methylpyrrolidine-3-carboxamide
CID 106175529
N-(3,3-difluoro-2-hydroxypropyl)-3-methylpyrrolidine-3-carboxamide
CID 103810599
N-(3-amino-2-hydroxy-3-oxopropyl)-3-methylpiperidine-3-carboxamide
CID 106175724
2-methyl-3-[(3-methylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 63142174
methyl (2R)-2-[(3-methylpyrrolidine-3-carbonyl)amino]propanoate
CID 119781278
N-(2-hydroxypropyl)-3-methylpiperidine-3-carboxamide
CID 63129926
N-(2-methoxypropyl)-3-methylpiperidine-3-carboxamide
CID 102694942
N-(cyclopropylmethyl)-3-methylpyrrolidine-3-carboxamide
CID 63140909
N-(3-methoxypropyl)-3-methylpyrrolidine-3-carboxamide
CID 63138395
2-[(3-methylpyrrolidine-3-carbonyl)amino]acetic acid
CID 63143746
(3S)-N-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-3-methylpyrrolidine-3-carboxamide
CID 125135269
3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119726405

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-3-[(3-methylpyrrolidine-3-carbonyl)amino]propanoate?
The IUPAC name of methyl 2-hydroxy-3-[(3-methylpyrrolidine-3-carbonyl)amino]propanoate (CID 107222737) is methyl 2-hydroxy-3-[(3-methylpyrrolidine-3-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 2-hydroxy-3-[(3-methylpyrrolidine-3-carbonyl)amino]propanoate?
The canonical SMILES for methyl 2-hydroxy-3-[(3-methylpyrrolidine-3-carbonyl)amino]propanoate is COC(=O)C(O)CNC(=O)C1(C)CCNC1.
What is the InChIKey of methyl 2-hydroxy-3-[(3-methylpyrrolidine-3-carbonyl)amino]propanoate?
The InChIKey is NUDGJOSGYXBMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-10(3-4-11-6-10)9(15)12-5-7(13)8(14)16-2/h7,11,13H,3-6H2,1-2H3,(H,12,15).
What are the key properties of methyl 2-hydroxy-3-[(3-methylpyrrolidine-3-carbonyl)amino]propanoate?
methyl 2-hydroxy-3-[(3-methylpyrrolidine-3-carbonyl)amino]propanoate has a molecular weight of 230.26 g/mol, XLogP of -1.36, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-3-[(3-methylpyrrolidine-3-carbonyl)amino]propanoate is sourced from PubChem (CID 107222737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).