(2S)-N-(cyclopropylmethyl)-1-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide

C14H25N3O2 — CID 75411469

IUPAC(2S)-N-(cyclopropylmethyl)-1-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
SMILESCNC(=O)C(C)(C)N1CCC[C@H]1C(=O)NCC1CC1
InChIInChI=1S/C14H25N3O2/c1-14(2,13(19)15-3)17-8-4-5-11(17)12(18)16-9-10-6-7-10/h10-11H,4-9H2,1-3H3,(H,15,19)(H,16,18)/t11-/m0/s1
InChIKeyBNDBBHOCNLCVEX-NSHDSACASA-N
MW267.37 g/mol
LogP0.50
Rot. Bonds5

About (2S)-N-(cyclopropylmethyl)-1-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide

(2S)-N-(cyclopropylmethyl)-1-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide (PubChem CID 75411469) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is (2S)-N-(cyclopropylmethyl)-1-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(cyclopropylmethyl)-1-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
PubChem CID75411469
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name(2S)-N-(cyclopropylmethyl)-1-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
SMILESCNC(=O)C(C)(C)N1CCC[C@H]1C(=O)NCC1CC1
InChIInChI=1S/C14H25N3O2/c1-14(2,13(19)15-3)17-8-4-5-11(17)12(18)16-9-10-6-7-10/h10-11H,4-9H2,1-3H3,(H,15,19)(H,16,18)/t11-/m0/s1
InChIKeyBNDBBHOCNLCVEX-NSHDSACASA-N
XLogP0.50
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(cyclopropylmethyl)-1-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(cyclopropylmethyl)-1-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide (CID 75411469) is (2S)-N-(cyclopropylmethyl)-1-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(cyclopropylmethyl)-1-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(cyclopropylmethyl)-1-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide is CNC(=O)C(C)(C)N1CCC[C@H]1C(=O)NCC1CC1.
What is the InChIKey of (2S)-N-(cyclopropylmethyl)-1-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide?
The InChIKey is BNDBBHOCNLCVEX-NSHDSACASA-N. The full InChI is InChI=1S/C14H25N3O2/c1-14(2,13(19)15-3)17-8-4-5-11(17)12(18)16-9-10-6-7-10/h10-11H,4-9H2,1-3H3,(H,15,19)(H,16,18)/t11-/m0/s1.
What are the key properties of (2S)-N-(cyclopropylmethyl)-1-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide?
(2S)-N-(cyclopropylmethyl)-1-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 267.37 g/mol, XLogP of 0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(cyclopropylmethyl)-1-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 75411469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).