(2S)-2-amino-N'-(2-phenylethyl)pentanediamide

C13H19N3O2 — CID 58987488

IUPAC(2S)-2-amino-N'-(2-phenylethyl)pentanediamide
SMILESNC(=O)[C@@H](N)CCC(=O)NCCc1ccccc1
InChIInChI=1S/C13H19N3O2/c14-11(13(15)18)6-7-12(17)16-9-8-10-4-2-1-3-5-10/h1-5,11H,6-9,14H2,(H2,15,18)(H,16,17)/t11-/m0/s1
InChIKeyKBJAAQKASOPKOG-NSHDSACASA-N
MW249.31 g/mol
LogP-0.06
Rot. Bonds7

About (2S)-2-amino-N'-(2-phenylethyl)pentanediamide

(2S)-2-amino-N'-(2-phenylethyl)pentanediamide (PubChem CID 58987488) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is (2S)-2-amino-N'-(2-phenylethyl)pentanediamide.

Molecular Properties

Compound Name(2S)-2-amino-N'-(2-phenylethyl)pentanediamide
PubChem CID58987488
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name(2S)-2-amino-N'-(2-phenylethyl)pentanediamide
SMILESNC(=O)[C@@H](N)CCC(=O)NCCc1ccccc1
InChIInChI=1S/C13H19N3O2/c14-11(13(15)18)6-7-12(17)16-9-8-10-4-2-1-3-5-10/h1-5,11H,6-9,14H2,(H2,15,18)(H,16,17)/t11-/m0/s1
InChIKeyKBJAAQKASOPKOG-NSHDSACASA-N
XLogP-0.06
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(2-phenylethyl)-4-sulfanylidenebutanamide
CID 94263404
(2S)-2-amino-N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-N'-[2-(4-phenylphenyl)ethyl]pentanediamide
CID 69486836
N-[2-(4-aminophenyl)ethyl]-3-phenylpropanamide
CID 39367183
N-(3-amino-3-phenylpropyl)-3-phenylpropanamide
CID 80505663
3-amino-N-[2-oxo-2-(2-phenylethylamino)ethyl]propanamide;hydrochloride
CID 119309735
(2S)-2-amino-N-[2-oxo-2-(2-phenylethylamino)ethyl]propanamide;hydrochloride
CID 119309731
3-(benzylamino)-N-(2-phenylethyl)propanamide
CID 109018924
4-phenyl-N-(2-phenylethyl)butanamide;propane
CID 143447835
4-amino-3-methyl-N-(2-phenylethyl)butanamide
CID 81070116
(2S)-2-amino-5-oxo-5-(2-pyridin-2-ylethylamino)pentanoic acid
CID 69303223
(2S)-2-amino-3-phenyl-N-(2-phenylethyl)propanamide;hydrochloride
CID 21308260
(2S)-2-[[(2S)-2-amino-6-(3-phenylpropanoylamino)hexanoyl]amino]propanoic acid
CID 11233376

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N'-(2-phenylethyl)pentanediamide?
The IUPAC name of (2S)-2-amino-N'-(2-phenylethyl)pentanediamide (CID 58987488) is (2S)-2-amino-N'-(2-phenylethyl)pentanediamide.
What is the SMILES notation for (2S)-2-amino-N'-(2-phenylethyl)pentanediamide?
The canonical SMILES for (2S)-2-amino-N'-(2-phenylethyl)pentanediamide is NC(=O)[C@@H](N)CCC(=O)NCCc1ccccc1.
What is the InChIKey of (2S)-2-amino-N'-(2-phenylethyl)pentanediamide?
The InChIKey is KBJAAQKASOPKOG-NSHDSACASA-N. The full InChI is InChI=1S/C13H19N3O2/c14-11(13(15)18)6-7-12(17)16-9-8-10-4-2-1-3-5-10/h1-5,11H,6-9,14H2,(H2,15,18)(H,16,17)/t11-/m0/s1.
What are the key properties of (2S)-2-amino-N'-(2-phenylethyl)pentanediamide?
(2S)-2-amino-N'-(2-phenylethyl)pentanediamide has a molecular weight of 249.31 g/mol, XLogP of -0.06, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N'-(2-phenylethyl)pentanediamide is sourced from PubChem (CID 58987488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).