Ser-Ala-Tyr

Name: Ser-Ala-Tyr — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₅H₂₁N₃O₆ — CID 145457659

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid

SMILESC[C@H](NC(=O)[C@@H](N)CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O

InChIInChI=1S/C15H21N3O6/c1-8(17-14(22)11(16)7-19)13(21)18-12(15(23)24)6-9-2-4-10(20)5-3-9/h2-5,8,11-12,19-20H,6-7,16H2,1H3,(H,17,22)(H,18,21)(H,23,24)/t8-,11-,12-/m0/s1

InChIKeyPZZJMBYSYAKYPK-UWJYBYFXSA-N

MW339.35 g/mol

LogP-1.67

Rot. Bonds8

About Ser-Ala-Tyr

Ser-Ala-Tyr (PubChem CID 145457659) has the molecular formula C₁₅H₂₁N₃O₆ and a molecular weight of 339.35 g/mol. Its IUPAC name is (2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid.

Molecular Properties

Compound Name	Ser-Ala-Tyr
PubChem CID	145457659
Molecular Formula	C₁₅H₂₁N₃O₆
Molecular Weight	339.35 g/mol
Exact Mass	339.14
IUPAC Name	(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
SMILES	C[C@H](NC(=O)[C@@H](N)CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O
InChI	InChI=1S/C15H21N3O6/c1-8(17-14(22)11(16)7-19)13(21)18-12(15(23)24)6-9-2-4-10(20)5-3-9/h2-5,8,11-12,19-20H,6-7,16H2,1H3,(H,17,22)(H,18,21)(H,23,24)/t8-,11-,12-/m0/s1
InChIKey	PZZJMBYSYAKYPK-UWJYBYFXSA-N
XLogP	-1.67
TPSA	161.98 Å²
H-Bond Donors	6
H-Bond Acceptors	6
Rotatable Bonds	8
Heavy Atoms	24
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	339.35
LogP ≤ 5	-1.67
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of Ser-Ala-Tyr?

The IUPAC name of Ser-Ala-Tyr (CID 145457659) is (2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid.

What is the SMILES notation for Ser-Ala-Tyr?

The canonical SMILES for Ser-Ala-Tyr is C[C@H](NC(=O)[C@@H](N)CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O.

What is the InChIKey of Ser-Ala-Tyr?

The InChIKey is PZZJMBYSYAKYPK-UWJYBYFXSA-N. The full InChI is InChI=1S/C15H21N3O6/c1-8(17-14(22)11(16)7-19)13(21)18-12(15(23)24)6-9-2-4-10(20)5-3-9/h2-5,8,11-12,19-20H,6-7,16H2,1H3,(H,17,22)(H,18,21)(H,23,24)/t8-,11-,12-/m0/s1.

What are the key properties of Ser-Ala-Tyr?

Ser-Ala-Tyr has a molecular weight of 339.35 g/mol, XLogP of -1.67, 8 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for Ser-Ala-Tyr is sourced from PubChem (CID 145457659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 145457659 — identifiers, structure, computed properties (public domain)

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