(2R)-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-4-methyl-1-oxopentan-2-yl]oxolane-2-carboxamide

C19H30N4O4 — CID 164544119

IUPAC(2R)-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-4-methyl-1-oxopentan-2-yl]oxolane-2-carboxamide
SMILESCC(C)C[C@H](NC(=O)[C@H]1CCCO1)C(=O)N[C@H](C#N)C[C@@H]1CCCNC1=O
InChIInChI=1S/C19H30N4O4/c1-12(2)9-15(23-19(26)16-6-4-8-27-16)18(25)22-14(11-20)10-13-5-3-7-21-17(13)24/h12-16H,3-10H2,1-2H3,(H,21,24)(H,22,25)(H,23,26)/t13-,14-,15-,16+/m0/s1
InChIKeyFZSKTKOBWGMSEK-YHUYYLMFSA-N
MW378.47 g/mol
LogP0.62
Rot. Bonds8

About (2R)-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-4-methyl-1-oxopentan-2-yl]oxolane-2-carboxamide

(2R)-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-4-methyl-1-oxopentan-2-yl]oxolane-2-carboxamide (PubChem CID 164544119) has the molecular formula C19H30N4O4 and a molecular weight of 378.47 g/mol. Its IUPAC name is (2R)-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-4-methyl-1-oxopentan-2-yl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-4-methyl-1-oxopentan-2-yl]oxolane-2-carboxamide
PubChem CID164544119
Molecular FormulaC19H30N4O4
Molecular Weight378.47 g/mol
Exact Mass378.23
IUPAC Name(2R)-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-4-methyl-1-oxopentan-2-yl]oxolane-2-carboxamide
SMILESCC(C)C[C@H](NC(=O)[C@H]1CCCO1)C(=O)N[C@H](C#N)C[C@@H]1CCCNC1=O
InChIInChI=1S/C19H30N4O4/c1-12(2)9-15(23-19(26)16-6-4-8-27-16)18(25)22-14(11-20)10-13-5-3-7-21-17(13)24/h12-16H,3-10H2,1-2H3,(H,21,24)(H,22,25)(H,23,26)/t13-,14-,15-,16+/m0/s1
InChIKeyFZSKTKOBWGMSEK-YHUYYLMFSA-N
XLogP0.62
TPSA120.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2R)-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-4-methyl-1-oxopentan-2-yl]oxolane-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-4-methyl-1-oxopentan-2-yl]oxolane-2-carboxamide?
The IUPAC name of (2R)-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-4-methyl-1-oxopentan-2-yl]oxolane-2-carboxamide (CID 164544119) is (2R)-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-4-methyl-1-oxopentan-2-yl]oxolane-2-carboxamide.
What is the SMILES notation for (2R)-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-4-methyl-1-oxopentan-2-yl]oxolane-2-carboxamide?
The canonical SMILES for (2R)-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-4-methyl-1-oxopentan-2-yl]oxolane-2-carboxamide is CC(C)C[C@H](NC(=O)[C@H]1CCCO1)C(=O)N[C@H](C#N)C[C@@H]1CCCNC1=O.
What is the InChIKey of (2R)-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-4-methyl-1-oxopentan-2-yl]oxolane-2-carboxamide?
The InChIKey is FZSKTKOBWGMSEK-YHUYYLMFSA-N. The full InChI is InChI=1S/C19H30N4O4/c1-12(2)9-15(23-19(26)16-6-4-8-27-16)18(25)22-14(11-20)10-13-5-3-7-21-17(13)24/h12-16H,3-10H2,1-2H3,(H,21,24)(H,22,25)(H,23,26)/t13-,14-,15-,16+/m0/s1.
What are the key properties of (2R)-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-4-methyl-1-oxopentan-2-yl]oxolane-2-carboxamide?
(2R)-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-4-methyl-1-oxopentan-2-yl]oxolane-2-carboxamide has a molecular weight of 378.47 g/mol, XLogP of 0.62, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-4-methyl-1-oxopentan-2-yl]oxolane-2-carboxamide is sourced from PubChem (CID 164544119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).