(2S)-2-amino-3-(2-propylpentanoyloxy)propanoic acid

C11H21NO4 — CID 58732233

IUPAC(2S)-2-amino-3-(2-propylpentanoyloxy)propanoic acid
SMILESCCCC(CCC)C(=O)OC[C@H](N)C(=O)O
InChIInChI=1S/C11H21NO4/c1-3-5-8(6-4-2)11(15)16-7-9(12)10(13)14/h8-9H,3-7,12H2,1-2H3,(H,13,14)/t9-/m0/s1
InChIKeyPPZZLXRMWMXONE-VIFPVBQESA-N
MW231.29 g/mol
LogP1.16
Rot. Bonds8

About (2S)-2-amino-3-(2-propylpentanoyloxy)propanoic acid

(2S)-2-amino-3-(2-propylpentanoyloxy)propanoic acid (PubChem CID 58732233) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is (2S)-2-amino-3-(2-propylpentanoyloxy)propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-(2-propylpentanoyloxy)propanoic acid
PubChem CID58732233
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name(2S)-2-amino-3-(2-propylpentanoyloxy)propanoic acid
SMILESCCCC(CCC)C(=O)OC[C@H](N)C(=O)O
InChIInChI=1S/C11H21NO4/c1-3-5-8(6-4-2)11(15)16-7-9(12)10(13)14/h8-9H,3-7,12H2,1-2H3,(H,13,14)/t9-/m0/s1
InChIKeyPPZZLXRMWMXONE-VIFPVBQESA-N
XLogP1.16
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(2-propylpentanoyloxy)propanoic acid?
The IUPAC name of (2S)-2-amino-3-(2-propylpentanoyloxy)propanoic acid (CID 58732233) is (2S)-2-amino-3-(2-propylpentanoyloxy)propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-(2-propylpentanoyloxy)propanoic acid?
The canonical SMILES for (2S)-2-amino-3-(2-propylpentanoyloxy)propanoic acid is CCCC(CCC)C(=O)OC[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-(2-propylpentanoyloxy)propanoic acid?
The InChIKey is PPZZLXRMWMXONE-VIFPVBQESA-N. The full InChI is InChI=1S/C11H21NO4/c1-3-5-8(6-4-2)11(15)16-7-9(12)10(13)14/h8-9H,3-7,12H2,1-2H3,(H,13,14)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-3-(2-propylpentanoyloxy)propanoic acid?
(2S)-2-amino-3-(2-propylpentanoyloxy)propanoic acid has a molecular weight of 231.29 g/mol, XLogP of 1.16, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(2-propylpentanoyloxy)propanoic acid is sourced from PubChem (CID 58732233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).