(2S)-2-[[(3S)-1-(2-cyanophenyl)pyrrolidin-3-yl]amino]propanamide

C14H18N4O — CID 67060668

IUPAC(2S)-2-[[(3S)-1-(2-cyanophenyl)pyrrolidin-3-yl]amino]propanamide
SMILESC[C@H](N[C@H]1CCN(c2ccccc2C#N)C1)C(N)=O
InChIInChI=1S/C14H18N4O/c1-10(14(16)19)17-12-6-7-18(9-12)13-5-3-2-4-11(13)8-15/h2-5,10,12,17H,6-7,9H2,1H3,(H2,16,19)/t10-,12-/m0/s1
InChIKeyOUPXTGYXNRLWNC-JQWIXIFHSA-N
MW258.32 g/mol
LogP0.60
Rot. Bonds4

About (2S)-2-[[(3S)-1-(2-cyanophenyl)pyrrolidin-3-yl]amino]propanamide

(2S)-2-[[(3S)-1-(2-cyanophenyl)pyrrolidin-3-yl]amino]propanamide (PubChem CID 67060668) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is (2S)-2-[[(3S)-1-(2-cyanophenyl)pyrrolidin-3-yl]amino]propanamide.

Molecular Properties

Compound Name(2S)-2-[[(3S)-1-(2-cyanophenyl)pyrrolidin-3-yl]amino]propanamide
PubChem CID67060668
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name(2S)-2-[[(3S)-1-(2-cyanophenyl)pyrrolidin-3-yl]amino]propanamide
SMILESC[C@H](N[C@H]1CCN(c2ccccc2C#N)C1)C(N)=O
InChIInChI=1S/C14H18N4O/c1-10(14(16)19)17-12-6-7-18(9-12)13-5-3-2-4-11(13)8-15/h2-5,10,12,17H,6-7,9H2,1H3,(H2,16,19)/t10-,12-/m0/s1
InChIKeyOUPXTGYXNRLWNC-JQWIXIFHSA-N
XLogP0.60
TPSA82.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[[(3S)-1-(2-cyano-4-methoxyphenyl)pyrrolidin-3-yl]amino]propanamide
CID 67060597
(2S)-2-[[(3S)-1-(3-cyano-1-methylindol-2-yl)pyrrolidin-3-yl]amino]propanamide
CID 67060652
2-[3-(1-aminoethyl)pyrrolidin-1-yl]benzonitrile
CID 103976657
2-amino-N-[1-(2-cyano-5-phenylphenyl)pyrrolidin-3-yl]propanamide
CID 75597941
2-[(3R)-3-aminopyrrolidin-1-yl]benzonitrile
CID 94340791
(2S)-2-[[(3S)-1-(2-cyano-4-nitrophenyl)pyrrolidin-3-yl]amino]-4-methylpentanamide;hydrochloride
CID 67060411
(3R)-N-[1-(2-cyanophenyl)piperidin-4-yl]-3-phenylbutanamide
CID 95764839
2-[(3S)-3-hydroxypyrrolidin-1-yl]benzonitrile
CID 55252376
1-[1-(2-cyanophenyl)piperidin-4-yl]azetidine-3-carboxamide
CID 22132350
(2S)-2-[[(3S)-1-(2-cyano-4-nitrophenyl)pyrrolidin-3-yl]amino]pentanamide;hydrochloride
CID 67060483
methyl 1-(2-cyanophenyl)piperidine-3-carboxylate
CID 78920451
2-fluoro-3-[3-(methylamino)pyrrolidin-1-yl]benzonitrile
CID 129117736

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(3S)-1-(2-cyanophenyl)pyrrolidin-3-yl]amino]propanamide?
The IUPAC name of (2S)-2-[[(3S)-1-(2-cyanophenyl)pyrrolidin-3-yl]amino]propanamide (CID 67060668) is (2S)-2-[[(3S)-1-(2-cyanophenyl)pyrrolidin-3-yl]amino]propanamide.
What is the SMILES notation for (2S)-2-[[(3S)-1-(2-cyanophenyl)pyrrolidin-3-yl]amino]propanamide?
The canonical SMILES for (2S)-2-[[(3S)-1-(2-cyanophenyl)pyrrolidin-3-yl]amino]propanamide is C[C@H](N[C@H]1CCN(c2ccccc2C#N)C1)C(N)=O.
What is the InChIKey of (2S)-2-[[(3S)-1-(2-cyanophenyl)pyrrolidin-3-yl]amino]propanamide?
The InChIKey is OUPXTGYXNRLWNC-JQWIXIFHSA-N. The full InChI is InChI=1S/C14H18N4O/c1-10(14(16)19)17-12-6-7-18(9-12)13-5-3-2-4-11(13)8-15/h2-5,10,12,17H,6-7,9H2,1H3,(H2,16,19)/t10-,12-/m0/s1.
What are the key properties of (2S)-2-[[(3S)-1-(2-cyanophenyl)pyrrolidin-3-yl]amino]propanamide?
(2S)-2-[[(3S)-1-(2-cyanophenyl)pyrrolidin-3-yl]amino]propanamide has a molecular weight of 258.32 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(3S)-1-(2-cyanophenyl)pyrrolidin-3-yl]amino]propanamide is sourced from PubChem (CID 67060668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).