(3S)-1-[2-amino-2-(1-methylpyrazol-4-yl)acetyl]piperidine-3-carboxylic acid

C12H18N4O3 — CID 115291008

IUPAC(3S)-1-[2-amino-2-(1-methylpyrazol-4-yl)acetyl]piperidine-3-carboxylic acid
SMILESCn1cc(C(N)C(=O)N2CCC[C@H](C(=O)O)C2)cn1
InChIInChI=1S/C12H18N4O3/c1-15-6-9(5-14-15)10(13)11(17)16-4-2-3-8(7-16)12(18)19/h5-6,8,10H,2-4,7,13H2,1H3,(H,18,19)/t8-,10?/m0/s1
InChIKeyPFLBAEINAZTOSF-PEHGTWAWSA-N
MW266.30 g/mol
LogP-0.26
Rot. Bonds3

About (3S)-1-[2-amino-2-(1-methylpyrazol-4-yl)acetyl]piperidine-3-carboxylic acid

(3S)-1-[2-amino-2-(1-methylpyrazol-4-yl)acetyl]piperidine-3-carboxylic acid (PubChem CID 115291008) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is (3S)-1-[2-amino-2-(1-methylpyrazol-4-yl)acetyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-[2-amino-2-(1-methylpyrazol-4-yl)acetyl]piperidine-3-carboxylic acid
PubChem CID115291008
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name(3S)-1-[2-amino-2-(1-methylpyrazol-4-yl)acetyl]piperidine-3-carboxylic acid
SMILESCn1cc(C(N)C(=O)N2CCC[C@H](C(=O)O)C2)cn1
InChIInChI=1S/C12H18N4O3/c1-15-6-9(5-14-15)10(13)11(17)16-4-2-3-8(7-16)12(18)19/h5-6,8,10H,2-4,7,13H2,1H3,(H,18,19)/t8-,10?/m0/s1
InChIKeyPFLBAEINAZTOSF-PEHGTWAWSA-N
XLogP-0.26
TPSA101.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-1-(4-methylpiperidin-1-yl)-2-(1-methylpyrazol-4-yl)ethanone
CID 115289498
1-[[2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]carbamoyl]piperidine-3-carboxylic acid
CID 122091756
2-amino-1-cyclobutyl-2-(1-methylpyrazol-4-yl)ethanone
CID 116605038
(3R)-1-[(1-methylpyrazol-4-yl)carbamoyl]piperidine-3-carboxylic acid
CID 81120044
1-[(1-methylpyrazol-4-yl)carbamoyl]piperidine-3-carboxylic acid
CID 43535289
2-[1-[2-amino-2-(1-methylpyrazol-4-yl)acetyl]azetidin-3-yl]acetic acid
CID 115290799
2-amino-1-(4-tert-butylpiperidin-1-yl)-2-(1-methylpyrazol-4-yl)ethanone
CID 115290579
1-[2-amino-2-(1-methylpyrazol-4-yl)acetyl]-2-methylpyrrolidine-3-carboxylic acid
CID 115290930
3-[1-[2-amino-2-(1-methylpyrazol-4-yl)acetyl]piperidin-4-yl]propanoic acid
CID 115290589
1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidine-3-carboxylic acid
CID 61157543
2-chloro-2-(1-methylpyrazol-4-yl)-1-piperidin-1-ylethanone
CID 62224276
1-[2-amino-2-(1-methylpyrazol-4-yl)acetyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102780342

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-amino-2-(1-methylpyrazol-4-yl)acetyl]piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-[2-amino-2-(1-methylpyrazol-4-yl)acetyl]piperidine-3-carboxylic acid (CID 115291008) is (3S)-1-[2-amino-2-(1-methylpyrazol-4-yl)acetyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-[2-amino-2-(1-methylpyrazol-4-yl)acetyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-[2-amino-2-(1-methylpyrazol-4-yl)acetyl]piperidine-3-carboxylic acid is Cn1cc(C(N)C(=O)N2CCC[C@H](C(=O)O)C2)cn1.
What is the InChIKey of (3S)-1-[2-amino-2-(1-methylpyrazol-4-yl)acetyl]piperidine-3-carboxylic acid?
The InChIKey is PFLBAEINAZTOSF-PEHGTWAWSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-15-6-9(5-14-15)10(13)11(17)16-4-2-3-8(7-16)12(18)19/h5-6,8,10H,2-4,7,13H2,1H3,(H,18,19)/t8-,10?/m0/s1.
What are the key properties of (3S)-1-[2-amino-2-(1-methylpyrazol-4-yl)acetyl]piperidine-3-carboxylic acid?
(3S)-1-[2-amino-2-(1-methylpyrazol-4-yl)acetyl]piperidine-3-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of -0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-amino-2-(1-methylpyrazol-4-yl)acetyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 115291008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).