2-[5-[[(2S)-piperidine-2-carbonyl]amino]-2-pyridinyl]acetic acid

C13H17N3O3 — CID 107341016

IUPAC2-[5-[[(2S)-piperidine-2-carbonyl]amino]-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)[C@@H]2CCCCN2)cn1
InChIInChI=1S/C13H17N3O3/c17-12(18)7-9-4-5-10(8-15-9)16-13(19)11-3-1-2-6-14-11/h4-5,8,11,14H,1-3,6-7H2,(H,16,19)(H,17,18)/t11-/m0/s1
InChIKeyNAXZIGNTJISXCX-NSHDSACASA-N
MW263.30 g/mol
LogP0.79
Rot. Bonds4

About 2-[5-[[(2S)-piperidine-2-carbonyl]amino]-2-pyridinyl]acetic acid

2-[5-[[(2S)-piperidine-2-carbonyl]amino]-2-pyridinyl]acetic acid (PubChem CID 107341016) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-[5-[[(2S)-piperidine-2-carbonyl]amino]-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-[[(2S)-piperidine-2-carbonyl]amino]-2-pyridinyl]acetic acid
PubChem CID107341016
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name2-[5-[[(2S)-piperidine-2-carbonyl]amino]-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)[C@@H]2CCCCN2)cn1
InChIInChI=1S/C13H17N3O3/c17-12(18)7-9-4-5-10(8-15-9)16-13(19)11-3-1-2-6-14-11/h4-5,8,11,14H,1-3,6-7H2,(H,16,19)(H,17,18)/t11-/m0/s1
InChIKeyNAXZIGNTJISXCX-NSHDSACASA-N
XLogP0.79
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[6-(dimethylamino)-3-pyridinyl]piperidine-2-carboxamide
CID 104912943
N-[6-(diethylamino)-3-pyridinyl]piperidine-2-carboxamide
CID 43705952
2-[4-[[(2R)-piperidine-2-carbonyl]amino]phenoxy]acetic acid
CID 104913965
(2S)-N-phenylpiperidine-2-carboxamide;hydrochloride
CID 68574355
2-[3-(piperidine-2-carbonylamino)phenyl]acetic acid
CID 65350284
N-[6-(cyclopropanecarbonylamino)-3-pyridinyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119879391
(2S)-N-(6-anilino-3-pyridinyl)pyrrolidine-2-carboxamide;hydrochloride
CID 122081463
2-[5-(piperidin-4-ylcarbamoylamino)-2-pyridinyl]acetic acid
CID 107340537
2-[5-[(3-aminocyclopentanecarbonyl)amino]-2-pyridinyl]acetic acid
CID 107341071
N-(6-phenoxy-3-pyridinyl)pyrrolidine-2-carboxamide
CID 119849166
2-[5-[(2-cyclopropylacetyl)amino]-2-pyridinyl]acetic acid
CID 107338810
N-quinoxalin-6-ylpiperidine-2-carboxamide
CID 54862032

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[(2S)-piperidine-2-carbonyl]amino]-2-pyridinyl]acetic acid?
The IUPAC name of 2-[5-[[(2S)-piperidine-2-carbonyl]amino]-2-pyridinyl]acetic acid (CID 107341016) is 2-[5-[[(2S)-piperidine-2-carbonyl]amino]-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-[[(2S)-piperidine-2-carbonyl]amino]-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-[[(2S)-piperidine-2-carbonyl]amino]-2-pyridinyl]acetic acid is O=C(O)Cc1ccc(NC(=O)[C@@H]2CCCCN2)cn1.
What is the InChIKey of 2-[5-[[(2S)-piperidine-2-carbonyl]amino]-2-pyridinyl]acetic acid?
The InChIKey is NAXZIGNTJISXCX-NSHDSACASA-N. The full InChI is InChI=1S/C13H17N3O3/c17-12(18)7-9-4-5-10(8-15-9)16-13(19)11-3-1-2-6-14-11/h4-5,8,11,14H,1-3,6-7H2,(H,16,19)(H,17,18)/t11-/m0/s1.
What are the key properties of 2-[5-[[(2S)-piperidine-2-carbonyl]amino]-2-pyridinyl]acetic acid?
2-[5-[[(2S)-piperidine-2-carbonyl]amino]-2-pyridinyl]acetic acid has a molecular weight of 263.30 g/mol, XLogP of 0.79, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[(2S)-piperidine-2-carbonyl]amino]-2-pyridinyl]acetic acid is sourced from PubChem (CID 107341016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).