2-[1-[(2S)-2-aminopropanoyl]azetidin-3-yl]propanoic acid

C9H16N2O3 — CID 104892415

IUPAC2-[1-[(2S)-2-aminopropanoyl]azetidin-3-yl]propanoic acid
SMILESCC(C(=O)O)C1CN(C(=O)[C@H](C)N)C1
InChIInChI=1S/C9H16N2O3/c1-5(9(13)14)7-3-11(4-7)8(12)6(2)10/h5-7H,3-4,10H2,1-2H3,(H,13,14)/t5?,6-/m0/s1
InChIKeyTVTFWEMWGZFNKO-GDVGLLTNSA-N
MW200.24 g/mol
LogP-0.49
Rot. Bonds3

About 2-[1-[(2S)-2-aminopropanoyl]azetidin-3-yl]propanoic acid

2-[1-[(2S)-2-aminopropanoyl]azetidin-3-yl]propanoic acid (PubChem CID 104892415) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-[1-[(2S)-2-aminopropanoyl]azetidin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-[1-[(2S)-2-aminopropanoyl]azetidin-3-yl]propanoic acid
PubChem CID104892415
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name2-[1-[(2S)-2-aminopropanoyl]azetidin-3-yl]propanoic acid
SMILESCC(C(=O)O)C1CN(C(=O)[C@H](C)N)C1
InChIInChI=1S/C9H16N2O3/c1-5(9(13)14)7-3-11(4-7)8(12)6(2)10/h5-7H,3-4,10H2,1-2H3,(H,13,14)/t5?,6-/m0/s1
InChIKeyTVTFWEMWGZFNKO-GDVGLLTNSA-N
XLogP-0.49
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-carboxyethyl)azetidine-1-carboxylic acid
CID 123935097
(2R)-2-amino-1-(3,4-dimethylpyrrolidin-1-yl)propan-1-one
CID 79180602
(2R)-2-amino-1-(3,4-dihydroxypyrrolidin-1-yl)propan-1-one
CID 106669235
2-amino-1-(3,4-dimethylpyrrolidin-1-yl)propan-1-one
CID 79181117
2-[1-[2-(carbamoylamino)propanoyl]azetidin-3-yl]propanoic acid
CID 116681220
2-[1-(2-aminopent-4-enoyl)azetidin-3-yl]propanoic acid
CID 116682246
2-[1-(3-amino-2-methyl-3-phenylpropanoyl)azetidin-3-yl]propanoic acid
CID 116682227
2-[1-(4-aminopentanoyl)azetidin-3-yl]propanoic acid
CID 116682380
2-amino-1-(3-propan-2-ylpyrrolidin-1-yl)propan-1-one
CID 115734771
2-[1-(4-amino-3-methylbutanoyl)azetidin-3-yl]propanoic acid
CID 116682344
N-[1-[(2R)-2-aminopropanoyl]azetidin-3-yl]acetamide
CID 127008848
2-[1-(diethylcarbamoyl)azetidin-3-yl]propanoic acid
CID 116681625

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2S)-2-aminopropanoyl]azetidin-3-yl]propanoic acid?
The IUPAC name of 2-[1-[(2S)-2-aminopropanoyl]azetidin-3-yl]propanoic acid (CID 104892415) is 2-[1-[(2S)-2-aminopropanoyl]azetidin-3-yl]propanoic acid.
What is the SMILES notation for 2-[1-[(2S)-2-aminopropanoyl]azetidin-3-yl]propanoic acid?
The canonical SMILES for 2-[1-[(2S)-2-aminopropanoyl]azetidin-3-yl]propanoic acid is CC(C(=O)O)C1CN(C(=O)[C@H](C)N)C1.
What is the InChIKey of 2-[1-[(2S)-2-aminopropanoyl]azetidin-3-yl]propanoic acid?
The InChIKey is TVTFWEMWGZFNKO-GDVGLLTNSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-5(9(13)14)7-3-11(4-7)8(12)6(2)10/h5-7H,3-4,10H2,1-2H3,(H,13,14)/t5?,6-/m0/s1.
What are the key properties of 2-[1-[(2S)-2-aminopropanoyl]azetidin-3-yl]propanoic acid?
2-[1-[(2S)-2-aminopropanoyl]azetidin-3-yl]propanoic acid has a molecular weight of 200.24 g/mol, XLogP of -0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2S)-2-aminopropanoyl]azetidin-3-yl]propanoic acid is sourced from PubChem (CID 104892415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).