(2S)-N-[(2S)-1-(ethylamino)-4-methyl-1-oxooctan-2-yl]pyrrolidine-2-carboxamide

C16H31N3O2 — CID 22803648

IUPAC(2S)-N-[(2S)-1-(ethylamino)-4-methyl-1-oxooctan-2-yl]pyrrolidine-2-carboxamide
SMILESCCCCC(C)C[C@H](NC(=O)[C@@H]1CCCN1)C(=O)NCC
InChIInChI=1S/C16H31N3O2/c1-4-6-8-12(3)11-14(15(20)17-5-2)19-16(21)13-9-7-10-18-13/h12-14,18H,4-11H2,1-3H3,(H,17,20)(H,19,21)/t12?,13-,14-/m0/s1
InChIKeyNHMVUOQMEUNYOA-TTZKSVMKSA-N
MW297.44 g/mol
LogP1.58
Rot. Bonds9

About (2S)-N-[(2S)-1-(ethylamino)-4-methyl-1-oxooctan-2-yl]pyrrolidine-2-carboxamide

(2S)-N-[(2S)-1-(ethylamino)-4-methyl-1-oxooctan-2-yl]pyrrolidine-2-carboxamide (PubChem CID 22803648) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is (2S)-N-[(2S)-1-(ethylamino)-4-methyl-1-oxooctan-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(2S)-1-(ethylamino)-4-methyl-1-oxooctan-2-yl]pyrrolidine-2-carboxamide
PubChem CID22803648
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Name(2S)-N-[(2S)-1-(ethylamino)-4-methyl-1-oxooctan-2-yl]pyrrolidine-2-carboxamide
SMILESCCCCC(C)C[C@H](NC(=O)[C@@H]1CCCN1)C(=O)NCC
InChIInChI=1S/C16H31N3O2/c1-4-6-8-12(3)11-14(15(20)17-5-2)19-16(21)13-9-7-10-18-13/h12-14,18H,4-11H2,1-3H3,(H,17,20)(H,19,21)/t12?,13-,14-/m0/s1
InChIKeyNHMVUOQMEUNYOA-TTZKSVMKSA-N
XLogP1.58
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2S)-1-(ethylamino)-4-methyl-1-oxooctan-2-yl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[(2S)-1-(ethylamino)-4-methyl-1-oxooctan-2-yl]pyrrolidine-2-carboxamide (CID 22803648) is (2S)-N-[(2S)-1-(ethylamino)-4-methyl-1-oxooctan-2-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(2S)-1-(ethylamino)-4-methyl-1-oxooctan-2-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(2S)-1-(ethylamino)-4-methyl-1-oxooctan-2-yl]pyrrolidine-2-carboxamide is CCCCC(C)C[C@H](NC(=O)[C@@H]1CCCN1)C(=O)NCC.
What is the InChIKey of (2S)-N-[(2S)-1-(ethylamino)-4-methyl-1-oxooctan-2-yl]pyrrolidine-2-carboxamide?
The InChIKey is NHMVUOQMEUNYOA-TTZKSVMKSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-4-6-8-12(3)11-14(15(20)17-5-2)19-16(21)13-9-7-10-18-13/h12-14,18H,4-11H2,1-3H3,(H,17,20)(H,19,21)/t12?,13-,14-/m0/s1.
What are the key properties of (2S)-N-[(2S)-1-(ethylamino)-4-methyl-1-oxooctan-2-yl]pyrrolidine-2-carboxamide?
(2S)-N-[(2S)-1-(ethylamino)-4-methyl-1-oxooctan-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 297.44 g/mol, XLogP of 1.58, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2S)-1-(ethylamino)-4-methyl-1-oxooctan-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 22803648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).