N-[(3R,5S)-1-(2-aminoacetyl)-5-(1H-pyrazol-5-yl)pyrrolidin-3-yl]benzamide

C16H19N5O2 — CID 67393372

IUPACN-[(3R,5S)-1-(2-aminoacetyl)-5-(1H-pyrazol-5-yl)pyrrolidin-3-yl]benzamide
SMILESNCC(=O)N1C[C@H](NC(=O)c2ccccc2)C[C@H]1c1ccn[nH]1
InChIInChI=1S/C16H19N5O2/c17-9-15(22)21-10-12(8-14(21)13-6-7-18-20-13)19-16(23)11-4-2-1-3-5-11/h1-7,12,14H,8-10,17H2,(H,18,20)(H,19,23)/t12-,14+/m1/s1
InChIKeyQXDJWJNOWLPNBY-OCCSQVGLSA-N
MW313.36 g/mol
LogP0.44
Rot. Bonds4

About N-[(3R,5S)-1-(2-aminoacetyl)-5-(1H-pyrazol-5-yl)pyrrolidin-3-yl]benzamide

N-[(3R,5S)-1-(2-aminoacetyl)-5-(1H-pyrazol-5-yl)pyrrolidin-3-yl]benzamide (PubChem CID 67393372) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-[(3R,5S)-1-(2-aminoacetyl)-5-(1H-pyrazol-5-yl)pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound NameN-[(3R,5S)-1-(2-aminoacetyl)-5-(1H-pyrazol-5-yl)pyrrolidin-3-yl]benzamide
PubChem CID67393372
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC NameN-[(3R,5S)-1-(2-aminoacetyl)-5-(1H-pyrazol-5-yl)pyrrolidin-3-yl]benzamide
SMILESNCC(=O)N1C[C@H](NC(=O)c2ccccc2)C[C@H]1c1ccn[nH]1
InChIInChI=1S/C16H19N5O2/c17-9-15(22)21-10-12(8-14(21)13-6-7-18-20-13)19-16(23)11-4-2-1-3-5-11/h1-7,12,14H,8-10,17H2,(H,18,20)(H,19,23)/t12-,14+/m1/s1
InChIKeyQXDJWJNOWLPNBY-OCCSQVGLSA-N
XLogP0.44
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4R)-1-(2-aminoacetyl)-4-benzamidopyrrolidine-2-carboxamide
CID 16735101
(2S,4R)-1-(2-aminoacetyl)-4-benzamido-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
CID 67394023
(2S,4R)-1-(2-aminoacetyl)-4-benzamido-N-propan-2-ylpyrrolidine-2-carboxamide
CID 16737759
1-(2-aminoacetyl)-4-benzamido-N-(1,2-oxazol-4-yl)pyrrolidine-2-carboxamide
CID 77277633
(2S,4R)-1-(2-aminoacetyl)-4-[(4-nitrobenzoyl)amino]pyrrolidine-2-carboxylic acid
CID 16738245
(2S,4R)-1-(2-aminoacetyl)-4-[(2-methylbenzoyl)amino]pyrrolidine-2-carboxylic acid
CID 67394288
4-benzamido-1-[2-(4,5-dihydro-1H-imidazol-2-ylamino)acetyl]pyrrolidine-2-carboxylic acid
CID 69260699
4-benzamido-1-[2-(1H-imidazol-2-ylamino)acetyl]pyrrolidine-2-carboxylic acid
CID 69262252
1-(2-aminoacetyl)-4-[(2-phenylacetyl)amino]pyrrolidine-2-carboxylic acid
CID 67392649
N-(3-aminocyclobutyl)benzamide
CID 43594893
[4-benzamido-1-[2-(methylamino)acetyl]pyrrolidin-2-yl] hydrogen carbonate
CID 121482127
1-phenyl-4-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]butane-1,4-dione
CID 97080910

Frequently Asked Questions

What is the IUPAC name of N-[(3R,5S)-1-(2-aminoacetyl)-5-(1H-pyrazol-5-yl)pyrrolidin-3-yl]benzamide?
The IUPAC name of N-[(3R,5S)-1-(2-aminoacetyl)-5-(1H-pyrazol-5-yl)pyrrolidin-3-yl]benzamide (CID 67393372) is N-[(3R,5S)-1-(2-aminoacetyl)-5-(1H-pyrazol-5-yl)pyrrolidin-3-yl]benzamide.
What is the SMILES notation for N-[(3R,5S)-1-(2-aminoacetyl)-5-(1H-pyrazol-5-yl)pyrrolidin-3-yl]benzamide?
The canonical SMILES for N-[(3R,5S)-1-(2-aminoacetyl)-5-(1H-pyrazol-5-yl)pyrrolidin-3-yl]benzamide is NCC(=O)N1C[C@H](NC(=O)c2ccccc2)C[C@H]1c1ccn[nH]1.
What is the InChIKey of N-[(3R,5S)-1-(2-aminoacetyl)-5-(1H-pyrazol-5-yl)pyrrolidin-3-yl]benzamide?
The InChIKey is QXDJWJNOWLPNBY-OCCSQVGLSA-N. The full InChI is InChI=1S/C16H19N5O2/c17-9-15(22)21-10-12(8-14(21)13-6-7-18-20-13)19-16(23)11-4-2-1-3-5-11/h1-7,12,14H,8-10,17H2,(H,18,20)(H,19,23)/t12-,14+/m1/s1.
What are the key properties of N-[(3R,5S)-1-(2-aminoacetyl)-5-(1H-pyrazol-5-yl)pyrrolidin-3-yl]benzamide?
N-[(3R,5S)-1-(2-aminoacetyl)-5-(1H-pyrazol-5-yl)pyrrolidin-3-yl]benzamide has a molecular weight of 313.36 g/mol, XLogP of 0.44, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,5S)-1-(2-aminoacetyl)-5-(1H-pyrazol-5-yl)pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 67393372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).