(2S)-2-aminopropanoic acid

C15H35N5O10 — CID 18446182

IUPAC(2S)-2-aminopropanoic acid
SMILESC[C@H](N)C(=O)O.C[C@H](N)C(=O)O.C[C@H](N)C(=O)O.C[C@H](N)C(=O)O.C[C@H](N)C(=O)O
InChIInChI=1S/5C3H7NO2/c5*1-2(4)3(5)6/h5*2H,4H2,1H3,(H,5,6)/t5*2-/m00000/s1
InChIKeySYVYXXNTZKICMA-GJFJXLMKSA-N
MW445.47 g/mol
LogP-2.91
Rot. Bonds5

About (2S)-2-aminopropanoic acid

(2S)-2-aminopropanoic acid (PubChem CID 18446182) has the molecular formula C15H35N5O10 and a molecular weight of 445.47 g/mol. Its IUPAC name is (2S)-2-aminopropanoic acid.

Molecular Properties

Compound Name(2S)-2-aminopropanoic acid
PubChem CID18446182
Molecular FormulaC15H35N5O10
Molecular Weight445.47 g/mol
Exact Mass445.24
IUPAC Name(2S)-2-aminopropanoic acid
SMILESC[C@H](N)C(=O)O.C[C@H](N)C(=O)O.C[C@H](N)C(=O)O.C[C@H](N)C(=O)O.C[C@H](N)C(=O)O
InChIInChI=1S/5C3H7NO2/c5*1-2(4)3(5)6/h5*2H,4H2,1H3,(H,5,6)/t5*2-/m00000/s1
InChIKeySYVYXXNTZKICMA-GJFJXLMKSA-N
XLogP-2.91
TPSA316.60 Ų
H-Bond Donors10
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.47
LogP ≤ 5-2.91
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1010

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Related Compounds

(2S)-2-aminopropanoic acid
CID 5950
(2R)-2-aminopropanoic acid
CID 18611140
(2S)-2-aminopropanoic acid;polane
CID 173022618
CID 86589108
CID 86589108
(2R)-2-aminopropanoic acid;phosphane
CID 157319334
tris(2-aminopropanoic acid);cobalt
CID 50909705
trisodium;(2S)-2-aminopropanoic acid;hydride
CID 174824458
acetic acid;(2S)-2-aminopropanoic acid
CID 87112640
acetic acid;(2S)-2-aminopropanoic acid
CID 87950802
potassium;2-aminopropanoic acid;hydride
CID 173162937
calcium;(2S)-2-aminopropanoic acid;dichloride
CID 173075157
(2S)-2-aminopropanoic acid;methane;palladium
CID 87359274

Frequently Asked Questions

What is the IUPAC name of (2S)-2-aminopropanoic acid?
The IUPAC name of (2S)-2-aminopropanoic acid (CID 18446182) is (2S)-2-aminopropanoic acid.
What is the SMILES notation for (2S)-2-aminopropanoic acid?
The canonical SMILES for (2S)-2-aminopropanoic acid is C[C@H](N)C(=O)O.C[C@H](N)C(=O)O.C[C@H](N)C(=O)O.C[C@H](N)C(=O)O.C[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-aminopropanoic acid?
The InChIKey is SYVYXXNTZKICMA-GJFJXLMKSA-N. The full InChI is InChI=1S/5C3H7NO2/c5*1-2(4)3(5)6/h5*2H,4H2,1H3,(H,5,6)/t5*2-/m00000/s1.
What are the key properties of (2S)-2-aminopropanoic acid?
(2S)-2-aminopropanoic acid has a molecular weight of 445.47 g/mol, XLogP of -2.91, 5 rotatable bonds, 10 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-aminopropanoic acid is sourced from PubChem (CID 18446182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).