(2S)-2-(3-hydroxypyrrolidin-1-yl)propanoic acid

C7H13NO3 — CID 142774776

IUPAC(2S)-2-(3-hydroxypyrrolidin-1-yl)propanoic acid
SMILESC[C@@H](C(=O)O)N1CCC(O)C1
InChIInChI=1S/C7H13NO3/c1-5(7(10)11)8-3-2-6(9)4-8/h5-6,9H,2-4H2,1H3,(H,10,11)/t5-,6?/m0/s1
InChIKeyQZVBPNQHOJUZIO-ZBHICJROSA-N
MW159.19 g/mol
LogP-0.47
Rot. Bonds2

About (2S)-2-(3-hydroxypyrrolidin-1-yl)propanoic acid

(2S)-2-(3-hydroxypyrrolidin-1-yl)propanoic acid (PubChem CID 142774776) has the molecular formula C7H13NO3 and a molecular weight of 159.19 g/mol. Its IUPAC name is (2S)-2-(3-hydroxypyrrolidin-1-yl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(3-hydroxypyrrolidin-1-yl)propanoic acid
PubChem CID142774776
Molecular FormulaC7H13NO3
Molecular Weight159.19 g/mol
Exact Mass159.09
IUPAC Name(2S)-2-(3-hydroxypyrrolidin-1-yl)propanoic acid
SMILESC[C@@H](C(=O)O)N1CCC(O)C1
InChIInChI=1S/C7H13NO3/c1-5(7(10)11)8-3-2-6(9)4-8/h5-6,9H,2-4H2,1H3,(H,10,11)/t5-,6?/m0/s1
InChIKeyQZVBPNQHOJUZIO-ZBHICJROSA-N
XLogP-0.47
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Pyrrolidin-1-ylpropanoic acid
CID 3157177
2-(Pyrrolidin-1-yl)propanoic acid hydrochloride
CID 45074903
2-[(3S)-3-methoxypyrrolidin-1-yl]acetic acid
CID 96551907
(S)-2-(1-Pyrrolidyl)propanoic Acid
CID 1091382
(R)-2-(1-Pyrrolidinyl)propionic Acid
CID 1091383
(3-Hydroxypyrrolidin-1-yl)acetic acid
CID 19817652
1-(3-Hydroxypyrrolidin-1-yl)propan-2-one
CID 23388482
(R)-2-(3-Hydroxypyrrolidin-1-yl)acetic acid
CID 29943831
(S)-2-(3-Hydroxypyrrolidin-1-yl)acetic acid
CID 34177184
1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-2-one
CID 53782140
1-[(3S)-3-hydroxypyrrolidin-1-yl]propan-2-one
CID 53782141
ethyl (S)-(-)-2-(3-hydroxy-1-pyrrolidinyl)acetate
CID 54107293

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-hydroxypyrrolidin-1-yl)propanoic acid?
The IUPAC name of (2S)-2-(3-hydroxypyrrolidin-1-yl)propanoic acid (CID 142774776) is (2S)-2-(3-hydroxypyrrolidin-1-yl)propanoic acid.
What is the SMILES notation for (2S)-2-(3-hydroxypyrrolidin-1-yl)propanoic acid?
The canonical SMILES for (2S)-2-(3-hydroxypyrrolidin-1-yl)propanoic acid is C[C@@H](C(=O)O)N1CCC(O)C1.
What is the InChIKey of (2S)-2-(3-hydroxypyrrolidin-1-yl)propanoic acid?
The InChIKey is QZVBPNQHOJUZIO-ZBHICJROSA-N. The full InChI is InChI=1S/C7H13NO3/c1-5(7(10)11)8-3-2-6(9)4-8/h5-6,9H,2-4H2,1H3,(H,10,11)/t5-,6?/m0/s1.
What are the key properties of (2S)-2-(3-hydroxypyrrolidin-1-yl)propanoic acid?
(2S)-2-(3-hydroxypyrrolidin-1-yl)propanoic acid has a molecular weight of 159.19 g/mol, XLogP of -0.47, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-hydroxypyrrolidin-1-yl)propanoic acid is sourced from PubChem (CID 142774776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).