2-[[(2S)-2-aminopropanoyl]amino]-N-tert-butylbenzamide

C14H21N3O2 — CID 119280561

IUPAC2-[[(2S)-2-aminopropanoyl]amino]-N-tert-butylbenzamide
SMILESC[C@H](N)C(=O)Nc1ccccc1C(=O)NC(C)(C)C
InChIInChI=1S/C14H21N3O2/c1-9(15)12(18)16-11-8-6-5-7-10(11)13(19)17-14(2,3)4/h5-9H,15H2,1-4H3,(H,16,18)(H,17,19)/t9-/m0/s1
InChIKeyYXQVDYHZSONVLF-VIFPVBQESA-N
MW263.34 g/mol
LogP1.50
Rot. Bonds3

About 2-[[(2S)-2-aminopropanoyl]amino]-N-tert-butylbenzamide

2-[[(2S)-2-aminopropanoyl]amino]-N-tert-butylbenzamide (PubChem CID 119280561) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[[(2S)-2-aminopropanoyl]amino]-N-tert-butylbenzamide.

Molecular Properties

Compound Name2-[[(2S)-2-aminopropanoyl]amino]-N-tert-butylbenzamide
PubChem CID119280561
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-[[(2S)-2-aminopropanoyl]amino]-N-tert-butylbenzamide
SMILESC[C@H](N)C(=O)Nc1ccccc1C(=O)NC(C)(C)C
InChIInChI=1S/C14H21N3O2/c1-9(15)12(18)16-11-8-6-5-7-10(11)13(19)17-14(2,3)4/h5-9H,15H2,1-4H3,(H,16,18)(H,17,19)/t9-/m0/s1
InChIKeyYXQVDYHZSONVLF-VIFPVBQESA-N
XLogP1.50
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-aminopropanoyl]amino]-N-tert-butylbenzamide?
The IUPAC name of 2-[[(2S)-2-aminopropanoyl]amino]-N-tert-butylbenzamide (CID 119280561) is 2-[[(2S)-2-aminopropanoyl]amino]-N-tert-butylbenzamide.
What is the SMILES notation for 2-[[(2S)-2-aminopropanoyl]amino]-N-tert-butylbenzamide?
The canonical SMILES for 2-[[(2S)-2-aminopropanoyl]amino]-N-tert-butylbenzamide is C[C@H](N)C(=O)Nc1ccccc1C(=O)NC(C)(C)C.
What is the InChIKey of 2-[[(2S)-2-aminopropanoyl]amino]-N-tert-butylbenzamide?
The InChIKey is YXQVDYHZSONVLF-VIFPVBQESA-N. The full InChI is InChI=1S/C14H21N3O2/c1-9(15)12(18)16-11-8-6-5-7-10(11)13(19)17-14(2,3)4/h5-9H,15H2,1-4H3,(H,16,18)(H,17,19)/t9-/m0/s1.
What are the key properties of 2-[[(2S)-2-aminopropanoyl]amino]-N-tert-butylbenzamide?
2-[[(2S)-2-aminopropanoyl]amino]-N-tert-butylbenzamide has a molecular weight of 263.34 g/mol, XLogP of 1.50, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-aminopropanoyl]amino]-N-tert-butylbenzamide is sourced from PubChem (CID 119280561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).