(2S)-2-[[(2S)-2-amino-3-fluoropropanoyl]amino]propanoic acid

C6H11FN2O3 — CID 22818766

IUPAC(2S)-2-[[(2S)-2-amino-3-fluoropropanoyl]amino]propanoic acid
SMILESC[C@H](NC(=O)[C@H](N)CF)C(=O)O
InChIInChI=1S/C6H11FN2O3/c1-3(6(11)12)9-5(10)4(8)2-7/h3-4H,2,8H2,1H3,(H,9,10)(H,11,12)/t3-,4+/m0/s1
InChIKeySZTAHILJFOZGBG-IUYQGCFVSA-N
MW178.16 g/mol
LogP-1.13
Rot. Bonds4

About (2S)-2-[[(2S)-2-amino-3-fluoropropanoyl]amino]propanoic acid

(2S)-2-[[(2S)-2-amino-3-fluoropropanoyl]amino]propanoic acid (PubChem CID 22818766) has the molecular formula C6H11FN2O3 and a molecular weight of 178.16 g/mol. Its IUPAC name is (2S)-2-[[(2S)-2-amino-3-fluoropropanoyl]amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[[(2S)-2-amino-3-fluoropropanoyl]amino]propanoic acid
PubChem CID22818766
Molecular FormulaC6H11FN2O3
Molecular Weight178.16 g/mol
Exact Mass178.08
IUPAC Name(2S)-2-[[(2S)-2-amino-3-fluoropropanoyl]amino]propanoic acid
SMILESC[C@H](NC(=O)[C@H](N)CF)C(=O)O
InChIInChI=1S/C6H11FN2O3/c1-3(6(11)12)9-5(10)4(8)2-7/h3-4H,2,8H2,1H3,(H,9,10)(H,11,12)/t3-,4+/m0/s1
InChIKeySZTAHILJFOZGBG-IUYQGCFVSA-N
XLogP-1.13
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.16
LogP ≤ 5-1.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-Acetyl-L-alanine
CID 88064
L-Alanyl-L-alanine
CID 5484352
D-Alanyl-D-Alanine
CID 5460362
Oxalyldiaminopropionic acid
CID 2360
(2R)-2-{[(2R)-2-ammoniopropanoyl]amino}propanoate
CID 6992112
Ala-Gly
CID 6998029
Glycyl-L-valine
CID 2724807
Ala-Ala-Ala
CID 5478845
{[(2S)-2-ammoniopropanoyl]amino}acetate
CID 6998028
N-Glycylalanine
CID 98153
Glycylvaline
CID 97417
N-acetyl-D-alanine
CID 132213

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2S)-2-amino-3-fluoropropanoyl]amino]propanoic acid?
The IUPAC name of (2S)-2-[[(2S)-2-amino-3-fluoropropanoyl]amino]propanoic acid (CID 22818766) is (2S)-2-[[(2S)-2-amino-3-fluoropropanoyl]amino]propanoic acid.
What is the SMILES notation for (2S)-2-[[(2S)-2-amino-3-fluoropropanoyl]amino]propanoic acid?
The canonical SMILES for (2S)-2-[[(2S)-2-amino-3-fluoropropanoyl]amino]propanoic acid is C[C@H](NC(=O)[C@H](N)CF)C(=O)O.
What is the InChIKey of (2S)-2-[[(2S)-2-amino-3-fluoropropanoyl]amino]propanoic acid?
The InChIKey is SZTAHILJFOZGBG-IUYQGCFVSA-N. The full InChI is InChI=1S/C6H11FN2O3/c1-3(6(11)12)9-5(10)4(8)2-7/h3-4H,2,8H2,1H3,(H,9,10)(H,11,12)/t3-,4+/m0/s1.
What are the key properties of (2S)-2-[[(2S)-2-amino-3-fluoropropanoyl]amino]propanoic acid?
(2S)-2-[[(2S)-2-amino-3-fluoropropanoyl]amino]propanoic acid has a molecular weight of 178.16 g/mol, XLogP of -1.13, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2S)-2-amino-3-fluoropropanoyl]amino]propanoic acid is sourced from PubChem (CID 22818766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).