(2S)-2-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]-3-phenylpropanamide

C12H17N3O2 — CID 7020132

IUPAC(2S)-2-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]-3-phenylpropanamide
SMILESC[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(N)=O
InChIInChI=1S/C12H17N3O2/c1-8(11(14)16)15-12(17)10(13)7-9-5-3-2-4-6-9/h2-6,8,10H,7,13H2,1H3,(H2,14,16)(H,15,17)/t8-,10-/m0/s1
InChIKeyZQVXEHAYROEWBT-WPRPVWTQSA-N
MW235.29 g/mol
LogP-0.45
Rot. Bonds5

About (2S)-2-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]-3-phenylpropanamide

(2S)-2-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]-3-phenylpropanamide (PubChem CID 7020132) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is (2S)-2-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]-3-phenylpropanamide
PubChem CID7020132
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name(2S)-2-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]-3-phenylpropanamide
SMILESC[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(N)=O
InChIInChI=1S/C12H17N3O2/c1-8(11(14)16)15-12(17)10(13)7-9-5-3-2-4-6-9/h2-6,8,10H,7,13H2,1H3,(H2,14,16)(H,15,17)/t8-,10-/m0/s1
InChIKeyZQVXEHAYROEWBT-WPRPVWTQSA-N
XLogP-0.45
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]-3-phenylpropanamide?
The IUPAC name of (2S)-2-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]-3-phenylpropanamide (CID 7020132) is (2S)-2-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]-3-phenylpropanamide?
The canonical SMILES for (2S)-2-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]-3-phenylpropanamide is C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(N)=O.
What is the InChIKey of (2S)-2-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]-3-phenylpropanamide?
The InChIKey is ZQVXEHAYROEWBT-WPRPVWTQSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-8(11(14)16)15-12(17)10(13)7-9-5-3-2-4-6-9/h2-6,8,10H,7,13H2,1H3,(H2,14,16)(H,15,17)/t8-,10-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]-3-phenylpropanamide?
(2S)-2-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]-3-phenylpropanamide has a molecular weight of 235.29 g/mol, XLogP of -0.45, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]-3-phenylpropanamide is sourced from PubChem (CID 7020132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).