(2S)-2-amino-N-[(3S)-3-(3-cyanoquinolin-2-yl)pyrrolidin-3-yl]propanamide;hydrochloride

C17H20ClN5O — CID 67060701

IUPAC(2S)-2-amino-N-[(3S)-3-(3-cyanoquinolin-2-yl)pyrrolidin-3-yl]propanamide;hydrochloride
SMILESC[C@H](N)C(=O)N[C@@]1(c2nc3ccccc3cc2C#N)CCNC1.Cl
InChIInChI=1S/C17H19N5O.ClH/c1-11(19)16(23)22-17(6-7-20-10-17)15-13(9-18)8-12-4-2-3-5-14(12)21-15;/h2-5,8,11,20H,6-7,10,19H2,1H3,(H,22,23);1H/t11-,17-;/m0./s1
InChIKeyYBKRWFVWNIVPJP-USSZGJRJSA-N
MW345.83 g/mol
LogP1.18
Rot. Bonds3

About (2S)-2-amino-N-[(3S)-3-(3-cyanoquinolin-2-yl)pyrrolidin-3-yl]propanamide;hydrochloride

(2S)-2-amino-N-[(3S)-3-(3-cyanoquinolin-2-yl)pyrrolidin-3-yl]propanamide;hydrochloride (PubChem CID 67060701) has the molecular formula C17H20ClN5O and a molecular weight of 345.83 g/mol. Its IUPAC name is (2S)-2-amino-N-[(3S)-3-(3-cyanoquinolin-2-yl)pyrrolidin-3-yl]propanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[(3S)-3-(3-cyanoquinolin-2-yl)pyrrolidin-3-yl]propanamide;hydrochloride
PubChem CID67060701
Molecular FormulaC17H20ClN5O
Molecular Weight345.83 g/mol
Exact Mass345.14
IUPAC Name(2S)-2-amino-N-[(3S)-3-(3-cyanoquinolin-2-yl)pyrrolidin-3-yl]propanamide;hydrochloride
SMILESC[C@H](N)C(=O)N[C@@]1(c2nc3ccccc3cc2C#N)CCNC1.Cl
InChIInChI=1S/C17H19N5O.ClH/c1-11(19)16(23)22-17(6-7-20-10-17)15-13(9-18)8-12-4-2-3-5-14(12)21-15;/h2-5,8,11,20H,6-7,10,19H2,1H3,(H,22,23);1H/t11-,17-;/m0./s1
InChIKeyYBKRWFVWNIVPJP-USSZGJRJSA-N
XLogP1.18
TPSA103.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(3S)-3-(3-cyanoquinolin-2-yl)pyrrolidin-3-yl]propanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[(3S)-3-(3-cyanoquinolin-2-yl)pyrrolidin-3-yl]propanamide;hydrochloride (CID 67060701) is (2S)-2-amino-N-[(3S)-3-(3-cyanoquinolin-2-yl)pyrrolidin-3-yl]propanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[(3S)-3-(3-cyanoquinolin-2-yl)pyrrolidin-3-yl]propanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[(3S)-3-(3-cyanoquinolin-2-yl)pyrrolidin-3-yl]propanamide;hydrochloride is C[C@H](N)C(=O)N[C@@]1(c2nc3ccccc3cc2C#N)CCNC1.Cl.
What is the InChIKey of (2S)-2-amino-N-[(3S)-3-(3-cyanoquinolin-2-yl)pyrrolidin-3-yl]propanamide;hydrochloride?
The InChIKey is YBKRWFVWNIVPJP-USSZGJRJSA-N. The full InChI is InChI=1S/C17H19N5O.ClH/c1-11(19)16(23)22-17(6-7-20-10-17)15-13(9-18)8-12-4-2-3-5-14(12)21-15;/h2-5,8,11,20H,6-7,10,19H2,1H3,(H,22,23);1H/t11-,17-;/m0./s1.
What are the key properties of (2S)-2-amino-N-[(3S)-3-(3-cyanoquinolin-2-yl)pyrrolidin-3-yl]propanamide;hydrochloride?
(2S)-2-amino-N-[(3S)-3-(3-cyanoquinolin-2-yl)pyrrolidin-3-yl]propanamide;hydrochloride has a molecular weight of 345.83 g/mol, XLogP of 1.18, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(3S)-3-(3-cyanoquinolin-2-yl)pyrrolidin-3-yl]propanamide;hydrochloride is sourced from PubChem (CID 67060701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).