(3R)-3-[(3R)-2-oxopiperidin-3-yl]butanoic acid

C9H15NO3 — CID 11106038

IUPAC(3R)-3-[(3R)-2-oxopiperidin-3-yl]butanoic acid
SMILESC[C@H](CC(=O)O)[C@H]1CCCNC1=O
InChIInChI=1S/C9H15NO3/c1-6(5-8(11)12)7-3-2-4-10-9(7)13/h6-7H,2-5H2,1H3,(H,10,13)(H,11,12)/t6-,7-/m1/s1
InChIKeyWLRCLFKGLPOIKI-RNFRBKRXSA-N
MW185.22 g/mol
LogP0.62
Rot. Bonds3

About (3R)-3-[(3R)-2-oxopiperidin-3-yl]butanoic acid

(3R)-3-[(3R)-2-oxopiperidin-3-yl]butanoic acid (PubChem CID 11106038) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is (3R)-3-[(3R)-2-oxopiperidin-3-yl]butanoic acid.

Molecular Properties

Compound Name(3R)-3-[(3R)-2-oxopiperidin-3-yl]butanoic acid
PubChem CID11106038
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name(3R)-3-[(3R)-2-oxopiperidin-3-yl]butanoic acid
SMILESC[C@H](CC(=O)O)[C@H]1CCCNC1=O
InChIInChI=1S/C9H15NO3/c1-6(5-8(11)12)7-3-2-4-10-9(7)13/h6-7H,2-5H2,1H3,(H,10,13)(H,11,12)/t6-,7-/m1/s1
InChIKeyWLRCLFKGLPOIKI-RNFRBKRXSA-N
XLogP0.62
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 657819
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4-Acetamidocyclohexane-1-carboxylic acid
CID 14788214
2-[4-(Cyclohexylamino)-4-oxobutan-2-yl]-5-methylhexanoic acid
CID 2959256
3-(3-Piperidinyl)propanoic acid hydrochloride
CID 12514714
2-[1-[2-(Cyclohexylmethylamino)-2-oxoethyl]cyclopentyl]acetic acid
CID 45267202
(3R,4S)-4-butylpiperidine-3-carboxylic acid
CID 127029855
3-(6-Oxopiperidin-3-yl)propanoic acid
CID 42609247
4,4-Dimethyl-6-oxopiperidine-3-carboxylic acid
CID 84654076
5-Ethyl-2-oxo-4-piperidineacetic acid
CID 195008
2-(3-Ethylpiperidin-4-yl)acetic acid
CID 408694
5-(beta-Carboxyethyl)-4-piperidone
CID 18780644

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(3R)-2-oxopiperidin-3-yl]butanoic acid?
The IUPAC name of (3R)-3-[(3R)-2-oxopiperidin-3-yl]butanoic acid (CID 11106038) is (3R)-3-[(3R)-2-oxopiperidin-3-yl]butanoic acid.
What is the SMILES notation for (3R)-3-[(3R)-2-oxopiperidin-3-yl]butanoic acid?
The canonical SMILES for (3R)-3-[(3R)-2-oxopiperidin-3-yl]butanoic acid is C[C@H](CC(=O)O)[C@H]1CCCNC1=O.
What is the InChIKey of (3R)-3-[(3R)-2-oxopiperidin-3-yl]butanoic acid?
The InChIKey is WLRCLFKGLPOIKI-RNFRBKRXSA-N. The full InChI is InChI=1S/C9H15NO3/c1-6(5-8(11)12)7-3-2-4-10-9(7)13/h6-7H,2-5H2,1H3,(H,10,13)(H,11,12)/t6-,7-/m1/s1.
What are the key properties of (3R)-3-[(3R)-2-oxopiperidin-3-yl]butanoic acid?
(3R)-3-[(3R)-2-oxopiperidin-3-yl]butanoic acid has a molecular weight of 185.22 g/mol, XLogP of 0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(3R)-2-oxopiperidin-3-yl]butanoic acid is sourced from PubChem (CID 11106038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).