(2S)-1-[(1R)-1-hydroxypropyl]azetidine-2-carboxylic acid

C7H13NO3 — CID 162895327

IUPAC(2S)-1-[(1R)-1-hydroxypropyl]azetidine-2-carboxylic acid
SMILESCC[C@@H](O)N1CC[C@H]1C(=O)O
InChIInChI=1S/C7H13NO3/c1-2-6(9)8-4-3-5(8)7(10)11/h5-6,9H,2-4H2,1H3,(H,10,11)/t5-,6+/m0/s1
InChIKeyWZZMBPRDBKYFMA-NTSWFWBYSA-N
MW159.18 g/mol
LogP-0.13
Rot. Bonds3

About (2S)-1-[(1R)-1-hydroxypropyl]azetidine-2-carboxylic acid

(2S)-1-[(1R)-1-hydroxypropyl]azetidine-2-carboxylic acid (PubChem CID 162895327) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is (2S)-1-[(1R)-1-hydroxypropyl]azetidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[(1R)-1-hydroxypropyl]azetidine-2-carboxylic acid
PubChem CID162895327
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name(2S)-1-[(1R)-1-hydroxypropyl]azetidine-2-carboxylic acid
SMILESCC[C@@H](O)N1CC[C@H]1C(=O)O
InChIInChI=1S/C7H13NO3/c1-2-6(9)8-4-3-5(8)7(10)11/h5-6,9H,2-4H2,1H3,(H,10,11)/t5-,6+/m0/s1
InChIKeyWZZMBPRDBKYFMA-NTSWFWBYSA-N
XLogP-0.13
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-sulfanylethyl)azetidine-2-carboxylic acid
CID 123831270
1-(2-hydroxy-3-methylpentyl)azetidine-2-carboxylic acid
CID 69349562
1-(1-cyclopropylpropyl)piperidine-2-carboxylic acid
CID 65054107
[1-(1-hydroxypropyl)azetidin-2-yl]-dimethylazanium
CID 58875565
1-(dihydroxymethyl)pyrrolidine-2-carboxylic acid
CID 22996998
1-(1-methoxybutan-2-yl)pyrrolidine-2-carboxylic acid
CID 65056161
(2S)-1-(2-hydroxybutanoyl)pyrrolidine-2-carboxylic acid
CID 131497998
(2R)-1-[(1R)-1-phenylethyl]azetidine-2-carboxylic acid
CID 21308199
1-octan-2-ylpyrrolidine-2-carboxylic acid
CID 65056476
1-butan-2-yl-3-hydroxypyrrolidine-2-carboxylic acid
CID 89128848
1-[1-(butan-2-ylamino)-1-oxopropan-2-yl]piperidine-2-carboxylic acid
CID 43440972
1-(2-methylpropyl)azetidine-2-carboxylic acid
CID 22132132

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(1R)-1-hydroxypropyl]azetidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[(1R)-1-hydroxypropyl]azetidine-2-carboxylic acid (CID 162895327) is (2S)-1-[(1R)-1-hydroxypropyl]azetidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[(1R)-1-hydroxypropyl]azetidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[(1R)-1-hydroxypropyl]azetidine-2-carboxylic acid is CC[C@@H](O)N1CC[C@H]1C(=O)O.
What is the InChIKey of (2S)-1-[(1R)-1-hydroxypropyl]azetidine-2-carboxylic acid?
The InChIKey is WZZMBPRDBKYFMA-NTSWFWBYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-2-6(9)8-4-3-5(8)7(10)11/h5-6,9H,2-4H2,1H3,(H,10,11)/t5-,6+/m0/s1.
What are the key properties of (2S)-1-[(1R)-1-hydroxypropyl]azetidine-2-carboxylic acid?
(2S)-1-[(1R)-1-hydroxypropyl]azetidine-2-carboxylic acid has a molecular weight of 159.18 g/mol, XLogP of -0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(1R)-1-hydroxypropyl]azetidine-2-carboxylic acid is sourced from PubChem (CID 162895327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).