(2S,3S)-4-piperidin-4-yl-2-propan-2-yl-3-(2H-tetrazol-5-yl)butanoic acid

C13H23N5O2 — CID 118505972

IUPAC(2S,3S)-4-piperidin-4-yl-2-propan-2-yl-3-(2H-tetrazol-5-yl)butanoic acid
SMILESCC(C)[C@H](C(=O)O)[C@H](CC1CCNCC1)c1nn[nH]n1
InChIInChI=1S/C13H23N5O2/c1-8(2)11(13(19)20)10(12-15-17-18-16-12)7-9-3-5-14-6-4-9/h8-11,14H,3-7H2,1-2H3,(H,19,20)(H,15,16,17,18)/t10-,11-/m0/s1
InChIKeyYAXNBLYCVKSHOX-QWRGUYRKSA-N
MW281.36 g/mol
LogP1.03
Rot. Bonds6

About (2S,3S)-4-piperidin-4-yl-2-propan-2-yl-3-(2H-tetrazol-5-yl)butanoic acid

(2S,3S)-4-piperidin-4-yl-2-propan-2-yl-3-(2H-tetrazol-5-yl)butanoic acid (PubChem CID 118505972) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is (2S,3S)-4-piperidin-4-yl-2-propan-2-yl-3-(2H-tetrazol-5-yl)butanoic acid.

Molecular Properties

Compound Name(2S,3S)-4-piperidin-4-yl-2-propan-2-yl-3-(2H-tetrazol-5-yl)butanoic acid
PubChem CID118505972
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC Name(2S,3S)-4-piperidin-4-yl-2-propan-2-yl-3-(2H-tetrazol-5-yl)butanoic acid
SMILESCC(C)[C@H](C(=O)O)[C@H](CC1CCNCC1)c1nn[nH]n1
InChIInChI=1S/C13H23N5O2/c1-8(2)11(13(19)20)10(12-15-17-18-16-12)7-9-3-5-14-6-4-9/h8-11,14H,3-7H2,1-2H3,(H,19,20)(H,15,16,17,18)/t10-,11-/m0/s1
InChIKeyYAXNBLYCVKSHOX-QWRGUYRKSA-N
XLogP1.03
TPSA103.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S,3S)-4-piperidin-4-yl-2-propan-2-yl-3-(2H-tetrazol-5-yl)butanoic acid with MolForge

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Launch Full Analysis

Related Compounds

4-(3-methyl-4-pyrrolidin-3-ylphenyl)-2-propan-2-yl-3-(2H-tetrazol-5-yl)butanoic acid
CID 123835396
2-[(1S)-2-phenyl-1-(2H-tetrazol-5-yl)ethyl]-5-piperidin-4-ylpentanoic acid
CID 118499972
(2S,3S)-2-propan-2-yl-4-[4-(1H-pyrazol-4-yl)phenyl]-3-(2H-tetrazol-5-yl)butanoic acid
CID 118506018
(2S,3S)-4-[6-(2,5-dihydro-1H-pyrrol-3-yl)-3-pyridinyl]-2-propan-2-yl-3-(2H-tetrazol-5-yl)butanoic acid
CID 118506380
(2S,3S)-4-[6-(methylamino)-3-pyridinyl]-2-propan-2-yl-3-(2H-tetrazol-5-yl)butanoic acid
CID 118506035
(3S,4S)-3-(cyclopropylmethyl)-5-phenyl-4-(2H-tetrazol-5-yl)pentan-2-one
CID 129264669
(2S)-2-(methylamino)-3-piperidin-4-ylpropanoic acid
CID 169025052
2-[2-[4-(2,5-dihydro-1H-pyrrol-3-yl)phenyl]-1-(2H-tetrazol-5-yl)ethyl]-5-piperidin-4-ylpentanoic acid
CID 123895226
(2S)-2-[(1S)-2-[4-(2,5-dihydro-1H-pyrrol-3-yl)phenyl]-1-(2H-tetrazol-5-yl)ethyl]-5-piperidin-4-ylpentanoic acid
CID 118506583
3,3-dimethyl-2-[(1S)-2-(6-pyrrolidin-3-yl-3-pyridinyl)-1-(2H-tetrazol-5-yl)ethyl]butanoic acid
CID 118499984
(2S)-2-[2-[6-[(4-hydroxypiperidin-3-yl)methylamino]-3-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]-4-methylpentanoic acid
CID 144957726
2-(azetidin-3-yl)-N-[1-(2H-tetrazol-5-yl)ethyl]acetamide
CID 64612043

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-4-piperidin-4-yl-2-propan-2-yl-3-(2H-tetrazol-5-yl)butanoic acid?
The IUPAC name of (2S,3S)-4-piperidin-4-yl-2-propan-2-yl-3-(2H-tetrazol-5-yl)butanoic acid (CID 118505972) is (2S,3S)-4-piperidin-4-yl-2-propan-2-yl-3-(2H-tetrazol-5-yl)butanoic acid.
What is the SMILES notation for (2S,3S)-4-piperidin-4-yl-2-propan-2-yl-3-(2H-tetrazol-5-yl)butanoic acid?
The canonical SMILES for (2S,3S)-4-piperidin-4-yl-2-propan-2-yl-3-(2H-tetrazol-5-yl)butanoic acid is CC(C)[C@H](C(=O)O)[C@H](CC1CCNCC1)c1nn[nH]n1.
What is the InChIKey of (2S,3S)-4-piperidin-4-yl-2-propan-2-yl-3-(2H-tetrazol-5-yl)butanoic acid?
The InChIKey is YAXNBLYCVKSHOX-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-8(2)11(13(19)20)10(12-15-17-18-16-12)7-9-3-5-14-6-4-9/h8-11,14H,3-7H2,1-2H3,(H,19,20)(H,15,16,17,18)/t10-,11-/m0/s1.
What are the key properties of (2S,3S)-4-piperidin-4-yl-2-propan-2-yl-3-(2H-tetrazol-5-yl)butanoic acid?
(2S,3S)-4-piperidin-4-yl-2-propan-2-yl-3-(2H-tetrazol-5-yl)butanoic acid has a molecular weight of 281.36 g/mol, XLogP of 1.03, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-4-piperidin-4-yl-2-propan-2-yl-3-(2H-tetrazol-5-yl)butanoic acid is sourced from PubChem (CID 118505972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).