(2S)-1-[(1R)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]-N-(2-methoxyethyl)pyrrolidine-2-carboxamide

C14H25N3O3 — CID 75529693

IUPAC(2S)-1-[(1R)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]-N-(2-methoxyethyl)pyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H](C1CC1)N1CCC[C@H]1C(=O)NCCOC
InChIInChI=1S/C14H25N3O3/c1-15-14(19)12(10-5-6-10)17-8-3-4-11(17)13(18)16-7-9-20-2/h10-12H,3-9H2,1-2H3,(H,15,19)(H,16,18)/t11-,12+/m0/s1
InChIKeyAWZJGLKCZNAZPW-NWDGAFQWSA-N
MW283.37 g/mol
LogP-0.26
Rot. Bonds7

About (2S)-1-[(1R)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]-N-(2-methoxyethyl)pyrrolidine-2-carboxamide

(2S)-1-[(1R)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]-N-(2-methoxyethyl)pyrrolidine-2-carboxamide (PubChem CID 75529693) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is (2S)-1-[(1R)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]-N-(2-methoxyethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[(1R)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]-N-(2-methoxyethyl)pyrrolidine-2-carboxamide
PubChem CID75529693
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name(2S)-1-[(1R)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]-N-(2-methoxyethyl)pyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H](C1CC1)N1CCC[C@H]1C(=O)NCCOC
InChIInChI=1S/C14H25N3O3/c1-15-14(19)12(10-5-6-10)17-8-3-4-11(17)13(18)16-7-9-20-2/h10-12H,3-9H2,1-2H3,(H,15,19)(H,16,18)/t11-,12+/m0/s1
InChIKeyAWZJGLKCZNAZPW-NWDGAFQWSA-N
XLogP-0.26
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-aminobutyryl-L-proline isobutylamide
CID 11499834
(2S)-aminobutyryl-L-proline-(2S)-methylbutylamide
CID 11623159
(2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylbutanoyl]-N-(cyclopropylmethyl)pyrrolidine-2-carboxamide
CID 11151918
L-valyl-L-prolinamide
CID 11615440
(S)-1-((S)-2-amino-3-methylbutanoyl)-N-butylpyrrolidine-2-carboxamide
CID 9970317
N-cyclohexyl-1-(2-methoxyethyl)-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 51361540
N-butyl-1-(2-methoxyethyl)-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 51361548
(R)-3-((S)-2-Amino-3-methyl-pentanoyl)-oxazolidine-4-carbonitrile
CID 44325523
2-Methylpropyl 2-(ethylcarbamoyl)pyrrolidine-1-carboxylate
CID 3127502
(R)-1-((S)-2-amino-3-methylbutanoyl)-N-butylpyrrolidine-2-carboxamide
CID 10707109
(2S)-N-[(2S)-1-[(1-carbamoylcyclopropyl)amino]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
CID 44281610
(2S)-N-(cyclopropylmethyl)-1-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
CID 75411469

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(1R)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]-N-(2-methoxyethyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[(1R)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]-N-(2-methoxyethyl)pyrrolidine-2-carboxamide (CID 75529693) is (2S)-1-[(1R)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]-N-(2-methoxyethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[(1R)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]-N-(2-methoxyethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[(1R)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]-N-(2-methoxyethyl)pyrrolidine-2-carboxamide is CNC(=O)[C@@H](C1CC1)N1CCC[C@H]1C(=O)NCCOC.
What is the InChIKey of (2S)-1-[(1R)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]-N-(2-methoxyethyl)pyrrolidine-2-carboxamide?
The InChIKey is AWZJGLKCZNAZPW-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-15-14(19)12(10-5-6-10)17-8-3-4-11(17)13(18)16-7-9-20-2/h10-12H,3-9H2,1-2H3,(H,15,19)(H,16,18)/t11-,12+/m0/s1.
What are the key properties of (2S)-1-[(1R)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]-N-(2-methoxyethyl)pyrrolidine-2-carboxamide?
(2S)-1-[(1R)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]-N-(2-methoxyethyl)pyrrolidine-2-carboxamide has a molecular weight of 283.37 g/mol, XLogP of -0.26, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(1R)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]-N-(2-methoxyethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 75529693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).