2-methyl-3-[(3-methylpyrrolidine-3-carbonyl)amino]propanoic acid

C10H18N2O3 — CID 63142174

IUPAC2-methyl-3-[(3-methylpyrrolidine-3-carbonyl)amino]propanoic acid
SMILESCC(CNC(=O)C1(C)CCNC1)C(=O)O
InChIInChI=1S/C10H18N2O3/c1-7(8(13)14)5-12-9(15)10(2)3-4-11-6-10/h7,11H,3-6H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyRYCHDQAQGVQEKZ-UHFFFAOYSA-N
MW214.26 g/mol
LogP-0.18
Rot. Bonds4

About 2-methyl-3-[(3-methylpyrrolidine-3-carbonyl)amino]propanoic acid

2-methyl-3-[(3-methylpyrrolidine-3-carbonyl)amino]propanoic acid (PubChem CID 63142174) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-methyl-3-[(3-methylpyrrolidine-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[(3-methylpyrrolidine-3-carbonyl)amino]propanoic acid
PubChem CID63142174
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name2-methyl-3-[(3-methylpyrrolidine-3-carbonyl)amino]propanoic acid
SMILESCC(CNC(=O)C1(C)CCNC1)C(=O)O
InChIInChI=1S/C10H18N2O3/c1-7(8(13)14)5-12-9(15)10(2)3-4-11-6-10/h7,11H,3-6H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyRYCHDQAQGVQEKZ-UHFFFAOYSA-N
XLogP-0.18
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,3-difluoro-2-hydroxypropyl)-3-methylpyrrolidine-3-carboxamide
CID 103810599
N-(3-amino-2-hydroxy-3-oxopropyl)-3-methylpyrrolidine-3-carboxamide
CID 106175529
2-[(3-methylpyrrolidine-3-carbonyl)amino]acetic acid
CID 63143746
3-[(3-methylpyrrolidine-3-carbonyl)amino]-2-phenylpropanoic acid
CID 63142311
methyl 2-hydroxy-3-[(3-methylpyrrolidine-3-carbonyl)amino]propanoate
CID 107222737
N-(2-hydroxypropyl)-3-methylpiperidine-3-carboxamide
CID 63129926
3-methyl-N-(3-methylbut-2-enyl)pyrrolidine-3-carboxamide
CID 106186921
3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119692049
N-(2-methoxypropyl)-3-methylpiperidine-3-carboxamide
CID 102694942
(3S)-N-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-3-methylpyrrolidine-3-carboxamide
CID 125135269
3-[(1-aminocyclopentanecarbonyl)amino]-2-methylpropanoic acid
CID 62675201
N-(cyclopropylmethyl)-3-methylpyrrolidine-3-carboxamide
CID 63140909

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(3-methylpyrrolidine-3-carbonyl)amino]propanoic acid?
The IUPAC name of 2-methyl-3-[(3-methylpyrrolidine-3-carbonyl)amino]propanoic acid (CID 63142174) is 2-methyl-3-[(3-methylpyrrolidine-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[(3-methylpyrrolidine-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[(3-methylpyrrolidine-3-carbonyl)amino]propanoic acid is CC(CNC(=O)C1(C)CCNC1)C(=O)O.
What is the InChIKey of 2-methyl-3-[(3-methylpyrrolidine-3-carbonyl)amino]propanoic acid?
The InChIKey is RYCHDQAQGVQEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-7(8(13)14)5-12-9(15)10(2)3-4-11-6-10/h7,11H,3-6H2,1-2H3,(H,12,15)(H,13,14).
What are the key properties of 2-methyl-3-[(3-methylpyrrolidine-3-carbonyl)amino]propanoic acid?
2-methyl-3-[(3-methylpyrrolidine-3-carbonyl)amino]propanoic acid has a molecular weight of 214.26 g/mol, XLogP of -0.18, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(3-methylpyrrolidine-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 63142174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).