(2S)-2-[(2-cyclopropylacetyl)amino]-4-pyrrolidin-1-ylpent-4-enamide;ethane;molecular hydrogen

C16H31N3O2 — CID 142558366

IUPAC(2S)-2-[(2-cyclopropylacetyl)amino]-4-pyrrolidin-1-ylpent-4-enamide;ethane;molecular hydrogen
SMILESC=C(C[C@H](NC(=O)CC1CC1)C(N)=O)N1CCCC1.CC.[H][H]
InChIInChI=1S/C14H23N3O2.C2H6.H2/c1-10(17-6-2-3-7-17)8-12(14(15)19)16-13(18)9-11-4-5-11;1-2;/h11-12H,1-9H2,(H2,15,19)(H,16,18);1-2H3;1H/t12-;;/m0../s1
InChIKeyRIZHYHDZXFWQON-LTCKWSDVSA-N
MW297.44 g/mol
LogP2.03
Rot. Bonds7

About (2S)-2-[(2-cyclopropylacetyl)amino]-4-pyrrolidin-1-ylpent-4-enamide;ethane;molecular hydrogen

(2S)-2-[(2-cyclopropylacetyl)amino]-4-pyrrolidin-1-ylpent-4-enamide;ethane;molecular hydrogen (PubChem CID 142558366) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is (2S)-2-[(2-cyclopropylacetyl)amino]-4-pyrrolidin-1-ylpent-4-enamide;ethane;molecular hydrogen.

Molecular Properties

Compound Name(2S)-2-[(2-cyclopropylacetyl)amino]-4-pyrrolidin-1-ylpent-4-enamide;ethane;molecular hydrogen
PubChem CID142558366
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Name(2S)-2-[(2-cyclopropylacetyl)amino]-4-pyrrolidin-1-ylpent-4-enamide;ethane;molecular hydrogen
SMILESC=C(C[C@H](NC(=O)CC1CC1)C(N)=O)N1CCCC1.CC.[H][H]
InChIInChI=1S/C14H23N3O2.C2H6.H2/c1-10(17-6-2-3-7-17)8-12(14(15)19)16-13(18)9-11-4-5-11;1-2;/h11-12H,1-9H2,(H2,15,19)(H,16,18);1-2H3;1H/t12-;;/m0../s1
InChIKeyRIZHYHDZXFWQON-LTCKWSDVSA-N
XLogP2.03
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[(2S)-1-[2-[(2-cyclopropylacetyl)amino]acetyl]pyrrolidine-2-carbonyl]amino]-3-methylpent-4-enoyl fluoride
CID 142833416
(2S)-N-[(2R)-3-amino-4-fluoro-3-methyl-1-(methylamino)-1-oxobutan-2-yl]-1-[2-(3-cyclopropylprop-1-en-2-ylamino)acetyl]pyrrolidine-2-carboxamide
CID 142833598
(2S)-1-[3-(but-1-en-2-ylamino)prop-1-en-2-yl]-N-[2-(fluoromethyl)-1-(methylcarbamoyl)cyclopropyl]pyrrolidine-2-carboxamide
CID 142833795
1-(2-amino-3,3-dimethylbutanoyl)-N-(2-ethenylcyclopropyl)pyrrolidine-2-carboxamide
CID 68249391
(2R)-4-methyl-2-[methyl-[(E)-[1-(2-oxopropanoyl)pyrrolidin-2-ylidene]methyl]amino]pentanamide
CID 71214196
4-[1-(Butylamino)ethenyl]-1-hexylpyrrolidin-2-one
CID 122534314
N-(2-but-1-enylcyclopropyl)-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide
CID 123905066
(2S)-2-[(2-cyclopropylacetyl)amino]-N-ethyl-4-[(2S)-2-methylpiperidin-1-yl]pent-4-enamide;ethane;molecular hydrogen
CID 142558125
ethane;N-[(2S)-1-(ethylamino)-4-[(2S)-2-methylpiperidin-1-yl]-1-oxopent-4-en-2-yl]-4-methylpentanamide;molecular hydrogen
CID 142558253
acetylene;2-(3-cyclopropylprop-1-en-2-ylamino)-N-ethyl-N-[(3S)-2-oxohexan-3-yl]acetamide;ethane;2-methylpropane
CID 143394162
(2S)-2-acetamido-N-[1-[(3R)-5-oxopyrrolidin-3-yl]ethenyl]propanamide
CID 156328248
(2S)-2-acetamido-N-[1-[(3S)-2-oxopyrrolidin-3-yl]ethenyl]propanamide
CID 156328271

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-cyclopropylacetyl)amino]-4-pyrrolidin-1-ylpent-4-enamide;ethane;molecular hydrogen?
The IUPAC name of (2S)-2-[(2-cyclopropylacetyl)amino]-4-pyrrolidin-1-ylpent-4-enamide;ethane;molecular hydrogen (CID 142558366) is (2S)-2-[(2-cyclopropylacetyl)amino]-4-pyrrolidin-1-ylpent-4-enamide;ethane;molecular hydrogen.
What is the SMILES notation for (2S)-2-[(2-cyclopropylacetyl)amino]-4-pyrrolidin-1-ylpent-4-enamide;ethane;molecular hydrogen?
The canonical SMILES for (2S)-2-[(2-cyclopropylacetyl)amino]-4-pyrrolidin-1-ylpent-4-enamide;ethane;molecular hydrogen is C=C(C[C@H](NC(=O)CC1CC1)C(N)=O)N1CCCC1.CC.[H][H].
What is the InChIKey of (2S)-2-[(2-cyclopropylacetyl)amino]-4-pyrrolidin-1-ylpent-4-enamide;ethane;molecular hydrogen?
The InChIKey is RIZHYHDZXFWQON-LTCKWSDVSA-N. The full InChI is InChI=1S/C14H23N3O2.C2H6.H2/c1-10(17-6-2-3-7-17)8-12(14(15)19)16-13(18)9-11-4-5-11;1-2;/h11-12H,1-9H2,(H2,15,19)(H,16,18);1-2H3;1H/t12-;;/m0../s1.
What are the key properties of (2S)-2-[(2-cyclopropylacetyl)amino]-4-pyrrolidin-1-ylpent-4-enamide;ethane;molecular hydrogen?
(2S)-2-[(2-cyclopropylacetyl)amino]-4-pyrrolidin-1-ylpent-4-enamide;ethane;molecular hydrogen has a molecular weight of 297.44 g/mol, XLogP of 2.03, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-cyclopropylacetyl)amino]-4-pyrrolidin-1-ylpent-4-enamide;ethane;molecular hydrogen is sourced from PubChem (CID 142558366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).