(2S,4S)-4-amino-N-ethyl-1-[(2-methoxy-4-methylphenyl)methyl]pyrrolidine-2-carboxamide

C16H25N3O2 — CID 56716883

IUPAC(2S,4S)-4-amino-N-ethyl-1-[(2-methoxy-4-methylphenyl)methyl]pyrrolidine-2-carboxamide
SMILESCCNC(=O)[C@@H]1C[C@H](N)CN1Cc1ccc(C)cc1OC
InChIInChI=1S/C16H25N3O2/c1-4-18-16(20)14-8-13(17)10-19(14)9-12-6-5-11(2)7-15(12)21-3/h5-7,13-14H,4,8-10,17H2,1-3H3,(H,18,20)/t13-,14-/m0/s1
InChIKeyLSMITLMZMJZYQF-KBPBESRZSA-N
MW291.39 g/mol
LogP1.04
Rot. Bonds5

About (2S,4S)-4-amino-N-ethyl-1-[(2-methoxy-4-methylphenyl)methyl]pyrrolidine-2-carboxamide

(2S,4S)-4-amino-N-ethyl-1-[(2-methoxy-4-methylphenyl)methyl]pyrrolidine-2-carboxamide (PubChem CID 56716883) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is (2S,4S)-4-amino-N-ethyl-1-[(2-methoxy-4-methylphenyl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-4-amino-N-ethyl-1-[(2-methoxy-4-methylphenyl)methyl]pyrrolidine-2-carboxamide
PubChem CID56716883
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name(2S,4S)-4-amino-N-ethyl-1-[(2-methoxy-4-methylphenyl)methyl]pyrrolidine-2-carboxamide
SMILESCCNC(=O)[C@@H]1C[C@H](N)CN1Cc1ccc(C)cc1OC
InChIInChI=1S/C16H25N3O2/c1-4-18-16(20)14-8-13(17)10-19(14)9-12-6-5-11(2)7-15(12)21-3/h5-7,13-14H,4,8-10,17H2,1-3H3,(H,18,20)/t13-,14-/m0/s1
InChIKeyLSMITLMZMJZYQF-KBPBESRZSA-N
XLogP1.04
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S)-4-amino-1-benzyl-N-ethylpyrrolidine-2-carboxamide
CID 118759074
(2S,4S)-4-amino-N-ethyl-1-[[2-(2-phenylethynyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 56713290
(2S,4S)-4-[[2-(carbamoylamino)acetyl]amino]-N-ethyl-1-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 72912307
3-amino-N-[(2-methoxy-4-methylphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119808680
2-(cyclopropylmethylamino)-N-[(2-methoxy-4-methylphenyl)methyl]acetamide
CID 119808693
(2S,4S)-N-ethyl-1-[(2-fluoro-4-methoxyphenyl)methyl]-4-(propanoylamino)pyrrolidine-2-carboxamide
CID 72925389
2-[(2-methoxy-4-methylphenyl)methylamino]-2-oxoacetic acid
CID 67265253
(2S,4R)-4-amino-N-ethyl-1-[(4-pyridin-2-ylphenyl)methyl]pyrrolidine-2-carboxamide
CID 70756398
(2S,4R)-4-amino-1-[3-(3,4-dimethylphenyl)propanoyl]-N-ethylpyrrolidine-2-carboxamide
CID 56716684
(2S,4S)-4-amino-1-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)pyrrolidine-2-carboxamide
CID 118759681
(2S,4S)-1-benzyl-4-[(2,5-dimethylphenyl)methylamino]-N-ethylpyrrolidine-2-carboxamide
CID 45220890
(2S,4R)-4-amino-N-ethyl-1-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidine-2-carboxamide
CID 56700703

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-amino-N-ethyl-1-[(2-methoxy-4-methylphenyl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-4-amino-N-ethyl-1-[(2-methoxy-4-methylphenyl)methyl]pyrrolidine-2-carboxamide (CID 56716883) is (2S,4S)-4-amino-N-ethyl-1-[(2-methoxy-4-methylphenyl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-4-amino-N-ethyl-1-[(2-methoxy-4-methylphenyl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-4-amino-N-ethyl-1-[(2-methoxy-4-methylphenyl)methyl]pyrrolidine-2-carboxamide is CCNC(=O)[C@@H]1C[C@H](N)CN1Cc1ccc(C)cc1OC.
What is the InChIKey of (2S,4S)-4-amino-N-ethyl-1-[(2-methoxy-4-methylphenyl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is LSMITLMZMJZYQF-KBPBESRZSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-4-18-16(20)14-8-13(17)10-19(14)9-12-6-5-11(2)7-15(12)21-3/h5-7,13-14H,4,8-10,17H2,1-3H3,(H,18,20)/t13-,14-/m0/s1.
What are the key properties of (2S,4S)-4-amino-N-ethyl-1-[(2-methoxy-4-methylphenyl)methyl]pyrrolidine-2-carboxamide?
(2S,4S)-4-amino-N-ethyl-1-[(2-methoxy-4-methylphenyl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 291.39 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-amino-N-ethyl-1-[(2-methoxy-4-methylphenyl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 56716883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).