3-[[(2S)-2-aminopropanoyl]amino]-N-cyclopropylbenzamide

C13H17N3O2 — CID 78969031

IUPAC3-[[(2S)-2-aminopropanoyl]amino]-N-cyclopropylbenzamide
SMILESC[C@H](N)C(=O)Nc1cccc(C(=O)NC2CC2)c1
InChIInChI=1S/C13H17N3O2/c1-8(14)12(17)16-11-4-2-3-9(7-11)13(18)15-10-5-6-10/h2-4,7-8,10H,5-6,14H2,1H3,(H,15,18)(H,16,17)/t8-/m0/s1
InChIKeyAUOYPUHCELPUDN-QMMMGPOBSA-N
MW247.30 g/mol
LogP0.86
Rot. Bonds4

About 3-[[(2S)-2-aminopropanoyl]amino]-N-cyclopropylbenzamide

3-[[(2S)-2-aminopropanoyl]amino]-N-cyclopropylbenzamide (PubChem CID 78969031) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 3-[[(2S)-2-aminopropanoyl]amino]-N-cyclopropylbenzamide.

Molecular Properties

Compound Name3-[[(2S)-2-aminopropanoyl]amino]-N-cyclopropylbenzamide
PubChem CID78969031
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name3-[[(2S)-2-aminopropanoyl]amino]-N-cyclopropylbenzamide
SMILESC[C@H](N)C(=O)Nc1cccc(C(=O)NC2CC2)c1
InChIInChI=1S/C13H17N3O2/c1-8(14)12(17)16-11-4-2-3-9(7-11)13(18)15-10-5-6-10/h2-4,7-8,10H,5-6,14H2,1H3,(H,15,18)(H,16,17)/t8-/m0/s1
InChIKeyAUOYPUHCELPUDN-QMMMGPOBSA-N
XLogP0.86
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[3-(cyclopropylcarbamoyl)phenyl]butanediamide
CID 61252820
3-(carbamoylamino)-N-cyclopropylbenzamide
CID 9210111
3-[[(2R)-2-aminopropanoyl]amino]-N-propan-2-ylbenzamide
CID 54995638
N-cyclopropyl-3-[(2,2-diphenylacetyl)amino]benzamide
CID 16567529
3-(2-aminopropanoylamino)benzamide
CID 61258270
N-cyclopropyl-3-[[(2S)-2-(4-methylphenyl)sulfanylpropanoyl]amino]benzamide
CID 26110887
N-cyclopropyl-3-[2-(4-methylphenyl)sulfanylpropanoylamino]benzamide
CID 42894673
3-acetamido-N-(4-hydroxycyclohexyl)benzamide
CID 43389328
3-[[(2S)-2-(4-chloro-2-methylphenoxy)propanoyl]amino]-N-cyclopropylbenzamide
CID 30126849
3-(1-aminopropan-2-ylamino)-N-cyclopropylbenzamide
CID 103387471
3-[[(2S)-2-aminopropanoyl]amino]-N-cyclopropyl-4-methylbenzamide;hydrochloride
CID 119283992
3-[[[(2R)-2-aminopropanoyl]amino]methyl]-N-cyclopropylbenzamide;hydrochloride
CID 119296114

Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-2-aminopropanoyl]amino]-N-cyclopropylbenzamide?
The IUPAC name of 3-[[(2S)-2-aminopropanoyl]amino]-N-cyclopropylbenzamide (CID 78969031) is 3-[[(2S)-2-aminopropanoyl]amino]-N-cyclopropylbenzamide.
What is the SMILES notation for 3-[[(2S)-2-aminopropanoyl]amino]-N-cyclopropylbenzamide?
The canonical SMILES for 3-[[(2S)-2-aminopropanoyl]amino]-N-cyclopropylbenzamide is C[C@H](N)C(=O)Nc1cccc(C(=O)NC2CC2)c1.
What is the InChIKey of 3-[[(2S)-2-aminopropanoyl]amino]-N-cyclopropylbenzamide?
The InChIKey is AUOYPUHCELPUDN-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-8(14)12(17)16-11-4-2-3-9(7-11)13(18)15-10-5-6-10/h2-4,7-8,10H,5-6,14H2,1H3,(H,15,18)(H,16,17)/t8-/m0/s1.
What are the key properties of 3-[[(2S)-2-aminopropanoyl]amino]-N-cyclopropylbenzamide?
3-[[(2S)-2-aminopropanoyl]amino]-N-cyclopropylbenzamide has a molecular weight of 247.30 g/mol, XLogP of 0.86, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S)-2-aminopropanoyl]amino]-N-cyclopropylbenzamide is sourced from PubChem (CID 78969031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).