(3S)-3-amino-N-[3-[(2-methoxyacetyl)amino]-2-methylphenyl]pyrrolidine-1-carboxamide

C15H22N4O3 — CID 97437838

IUPAC(3S)-3-amino-N-[3-[(2-methoxyacetyl)amino]-2-methylphenyl]pyrrolidine-1-carboxamide
SMILESCOCC(=O)Nc1cccc(NC(=O)N2CC[C@H](N)C2)c1C
InChIInChI=1S/C15H22N4O3/c1-10-12(17-14(20)9-22-2)4-3-5-13(10)18-15(21)19-7-6-11(16)8-19/h3-5,11H,6-9,16H2,1-2H3,(H,17,20)(H,18,21)/t11-/m0/s1
InChIKeyMTIZBSIEVYZZAJ-NSHDSACASA-N
MW306.37 g/mol
LogP1.14
Rot. Bonds4

About (3S)-3-amino-N-[3-[(2-methoxyacetyl)amino]-2-methylphenyl]pyrrolidine-1-carboxamide

(3S)-3-amino-N-[3-[(2-methoxyacetyl)amino]-2-methylphenyl]pyrrolidine-1-carboxamide (PubChem CID 97437838) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is (3S)-3-amino-N-[3-[(2-methoxyacetyl)amino]-2-methylphenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-amino-N-[3-[(2-methoxyacetyl)amino]-2-methylphenyl]pyrrolidine-1-carboxamide
PubChem CID97437838
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Name(3S)-3-amino-N-[3-[(2-methoxyacetyl)amino]-2-methylphenyl]pyrrolidine-1-carboxamide
SMILESCOCC(=O)Nc1cccc(NC(=O)N2CC[C@H](N)C2)c1C
InChIInChI=1S/C15H22N4O3/c1-10-12(17-14(20)9-22-2)4-3-5-13(10)18-15(21)19-7-6-11(16)8-19/h3-5,11H,6-9,16H2,1-2H3,(H,17,20)(H,18,21)/t11-/m0/s1
InChIKeyMTIZBSIEVYZZAJ-NSHDSACASA-N
XLogP1.14
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-[3-[(3-ethylpiperidine-1-carbonyl)amino]-2-methylphenyl]carbamate
CID 87044646
3-amino-N-(2-methyl-3-phenylphenyl)piperidine-1-carboxamide
CID 135146828
N-[3-[(2-methoxyacetyl)amino]-2-methylphenyl]-2-methyl-5-oxo-1,4-diazepane-1-carboxamide
CID 72891428
(3R)-3-amino-N-(2-phenoxyphenyl)pyrrolidine-1-carboxamide
CID 142326301
2-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]benzoic acid
CID 64597013
methyl 2-[(3R)-1-(naphthalen-1-ylcarbamoyl)pyrrolidin-3-yl]acetate
CID 97284758
2-fluoro-6-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]benzoic acid
CID 64597623
(3R)-3-amino-N-phenylpyrrolidine-1-carboxamide
CID 94340040
2-[(3-aminopyrrolidine-1-carbonyl)amino]-4-methoxybenzoic acid
CID 115412224
(3R)-N-[3-[(2-methoxyacetyl)amino]phenyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
CID 95167995
ethyl 4-[4-[(2,3-dimethylphenyl)carbamoyl]piperazin-1-yl]piperidine-1-carboxylate
CID 113110044
(3R)-3-(2-amino-2-oxoethyl)-N-(3-fluoro-2-methylphenyl)piperidine-1-carboxamide
CID 99715459

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-N-[3-[(2-methoxyacetyl)amino]-2-methylphenyl]pyrrolidine-1-carboxamide?
The IUPAC name of (3S)-3-amino-N-[3-[(2-methoxyacetyl)amino]-2-methylphenyl]pyrrolidine-1-carboxamide (CID 97437838) is (3S)-3-amino-N-[3-[(2-methoxyacetyl)amino]-2-methylphenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-3-amino-N-[3-[(2-methoxyacetyl)amino]-2-methylphenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-3-amino-N-[3-[(2-methoxyacetyl)amino]-2-methylphenyl]pyrrolidine-1-carboxamide is COCC(=O)Nc1cccc(NC(=O)N2CC[C@H](N)C2)c1C.
What is the InChIKey of (3S)-3-amino-N-[3-[(2-methoxyacetyl)amino]-2-methylphenyl]pyrrolidine-1-carboxamide?
The InChIKey is MTIZBSIEVYZZAJ-NSHDSACASA-N. The full InChI is InChI=1S/C15H22N4O3/c1-10-12(17-14(20)9-22-2)4-3-5-13(10)18-15(21)19-7-6-11(16)8-19/h3-5,11H,6-9,16H2,1-2H3,(H,17,20)(H,18,21)/t11-/m0/s1.
What are the key properties of (3S)-3-amino-N-[3-[(2-methoxyacetyl)amino]-2-methylphenyl]pyrrolidine-1-carboxamide?
(3S)-3-amino-N-[3-[(2-methoxyacetyl)amino]-2-methylphenyl]pyrrolidine-1-carboxamide has a molecular weight of 306.37 g/mol, XLogP of 1.14, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-N-[3-[(2-methoxyacetyl)amino]-2-methylphenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 97437838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).