(3S)-3-[[ethyl(methyl)amino]methyl]-N-[(2S)-1-methoxypropan-2-yl]pyrrolidine-1-carboxamide

C13H27N3O2 — CID 95786491

IUPAC(3S)-3-[[ethyl(methyl)amino]methyl]-N-[(2S)-1-methoxypropan-2-yl]pyrrolidine-1-carboxamide
SMILESCCN(C)C[C@@H]1CCN(C(=O)N[C@@H](C)COC)C1
InChIInChI=1S/C13H27N3O2/c1-5-15(3)8-12-6-7-16(9-12)13(17)14-11(2)10-18-4/h11-12H,5-10H2,1-4H3,(H,14,17)/t11-,12-/m0/s1
InChIKeyZMQHXJFWNZINSS-RYUDHWBXSA-N
MW257.38 g/mol
LogP1.00
Rot. Bonds6

About (3S)-3-[[ethyl(methyl)amino]methyl]-N-[(2S)-1-methoxypropan-2-yl]pyrrolidine-1-carboxamide

(3S)-3-[[ethyl(methyl)amino]methyl]-N-[(2S)-1-methoxypropan-2-yl]pyrrolidine-1-carboxamide (PubChem CID 95786491) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is (3S)-3-[[ethyl(methyl)amino]methyl]-N-[(2S)-1-methoxypropan-2-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-[[ethyl(methyl)amino]methyl]-N-[(2S)-1-methoxypropan-2-yl]pyrrolidine-1-carboxamide
PubChem CID95786491
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Name(3S)-3-[[ethyl(methyl)amino]methyl]-N-[(2S)-1-methoxypropan-2-yl]pyrrolidine-1-carboxamide
SMILESCCN(C)C[C@@H]1CCN(C(=O)N[C@@H](C)COC)C1
InChIInChI=1S/C13H27N3O2/c1-5-15(3)8-12-6-7-16(9-12)13(17)14-11(2)10-18-4/h11-12H,5-10H2,1-4H3,(H,14,17)/t11-,12-/m0/s1
InChIKeyZMQHXJFWNZINSS-RYUDHWBXSA-N
XLogP1.00
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1R)-1-hydroxyethyl]-N-[(2S)-1-methoxypropan-2-yl]piperidine-1-carboxamide
CID 95348703
(3R)-3-[[ethyl(methyl)amino]methyl]-N-[(2R)-1-(3-fluorophenyl)propan-2-yl]pyrrolidine-1-carboxamide
CID 129378442
3-[1-(1-methoxypropan-2-ylcarbamoyl)piperidin-4-yl]propanoic acid
CID 62216369
(3R)-3-[[ethyl(methyl)amino]methyl]-N-(2-ethylsulfanylphenyl)pyrrolidine-1-carboxamide
CID 97221170
3-[(dimethylamino)methyl]-N-[1-(oxolan-2-yl)propan-2-yl]pyrrolidine-1-carboxamide
CID 86816948
3-(hydroxymethyl)-N-(5-methylhexan-2-yl)pyrrolidine-1-carboxamide
CID 111443461
N-[(2S)-1-methoxypropan-2-yl]-4-propylpiperazine-1-carboxamide
CID 97098734
(3S)-3-[[ethyl(methyl)amino]methyl]-N-[(1-methylpyrrol-2-yl)methyl]pyrrolidine-1-carboxamide
CID 97028218
(3S)-3-[[ethyl(methyl)amino]methyl]-N-[(1R,2S)-2-[(S)-ethylsulfinyl]cyclohexyl]pyrrolidine-1-carboxamide
CID 96995680
(2S)-2-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]-3-methylbutanoic acid
CID 64597217
(3R)-3-(hydroxymethyl)-N-methoxypyrrolidine-1-carboxamide
CID 130668438
N-[4-(3,4-difluorophenyl)butan-2-yl]-3-[(dimethylamino)methyl]pyrrolidine-1-carboxamide
CID 91661432

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[[ethyl(methyl)amino]methyl]-N-[(2S)-1-methoxypropan-2-yl]pyrrolidine-1-carboxamide?
The IUPAC name of (3S)-3-[[ethyl(methyl)amino]methyl]-N-[(2S)-1-methoxypropan-2-yl]pyrrolidine-1-carboxamide (CID 95786491) is (3S)-3-[[ethyl(methyl)amino]methyl]-N-[(2S)-1-methoxypropan-2-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-3-[[ethyl(methyl)amino]methyl]-N-[(2S)-1-methoxypropan-2-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-3-[[ethyl(methyl)amino]methyl]-N-[(2S)-1-methoxypropan-2-yl]pyrrolidine-1-carboxamide is CCN(C)C[C@@H]1CCN(C(=O)N[C@@H](C)COC)C1.
What is the InChIKey of (3S)-3-[[ethyl(methyl)amino]methyl]-N-[(2S)-1-methoxypropan-2-yl]pyrrolidine-1-carboxamide?
The InChIKey is ZMQHXJFWNZINSS-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-5-15(3)8-12-6-7-16(9-12)13(17)14-11(2)10-18-4/h11-12H,5-10H2,1-4H3,(H,14,17)/t11-,12-/m0/s1.
What are the key properties of (3S)-3-[[ethyl(methyl)amino]methyl]-N-[(2S)-1-methoxypropan-2-yl]pyrrolidine-1-carboxamide?
(3S)-3-[[ethyl(methyl)amino]methyl]-N-[(2S)-1-methoxypropan-2-yl]pyrrolidine-1-carboxamide has a molecular weight of 257.38 g/mol, XLogP of 1.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[[ethyl(methyl)amino]methyl]-N-[(2S)-1-methoxypropan-2-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 95786491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).