(2R)-2-(piperidin-3-ylamino)decanoic acid

C15H30N2O2 — CID 160838910

IUPAC(2R)-2-(piperidin-3-ylamino)decanoic acid
SMILESCCCCCCCC[C@@H](NC1CCCNC1)C(=O)O
InChIInChI=1S/C15H30N2O2/c1-2-3-4-5-6-7-10-14(15(18)19)17-13-9-8-11-16-12-13/h13-14,16-17H,2-12H2,1H3,(H,18,19)/t13?,14-/m1/s1
InChIKeySHTPHAMRXCYAFW-ARLHGKGLSA-N
MW270.42 g/mol
LogP2.53
Rot. Bonds10

About (2R)-2-(piperidin-3-ylamino)decanoic acid

(2R)-2-(piperidin-3-ylamino)decanoic acid (PubChem CID 160838910) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is (2R)-2-(piperidin-3-ylamino)decanoic acid.

Molecular Properties

Compound Name(2R)-2-(piperidin-3-ylamino)decanoic acid
PubChem CID160838910
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name(2R)-2-(piperidin-3-ylamino)decanoic acid
SMILESCCCCCCCC[C@@H](NC1CCCNC1)C(=O)O
InChIInChI=1S/C15H30N2O2/c1-2-3-4-5-6-7-10-14(15(18)19)17-13-9-8-11-16-12-13/h13-14,16-17H,2-12H2,1H3,(H,18,19)/t13?,14-/m1/s1
InChIKeySHTPHAMRXCYAFW-ARLHGKGLSA-N
XLogP2.53
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(cyclohexylamino)heptanoic acid
CID 60998800
2-(cyclopropylamino)heptanoic acid
CID 43754511
4-oxo-2-[[(3S)-piperidin-3-yl]amino]butanoic acid
CID 86595942
2-(cyclohexylamino)octanamide
CID 54893908
methyl 2-(cyclopentylamino)nonanoate
CID 54894298
2-[(3,3-dimethylcyclohexyl)amino]hexanoic acid
CID 103259393
1-heptyl-3-piperidin-3-ylurea
CID 142180143
ethyl 2-(cyclohexylamino)nonanoate
CID 63524115
6-amino-2-(cyclopentylamino)hexanoic acid
CID 19080804
(3S)-N-heptan-2-ylpiperidine-3-carboxamide
CID 81123711
(2S)-2-(pyrrolidine-3-carbonylamino)hexanoic acid
CID 107146972
(2S)-2-[[(3S)-piperidine-3-carbonyl]amino]pentanoic acid
CID 107565163

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(piperidin-3-ylamino)decanoic acid?
The IUPAC name of (2R)-2-(piperidin-3-ylamino)decanoic acid (CID 160838910) is (2R)-2-(piperidin-3-ylamino)decanoic acid.
What is the SMILES notation for (2R)-2-(piperidin-3-ylamino)decanoic acid?
The canonical SMILES for (2R)-2-(piperidin-3-ylamino)decanoic acid is CCCCCCCC[C@@H](NC1CCCNC1)C(=O)O.
What is the InChIKey of (2R)-2-(piperidin-3-ylamino)decanoic acid?
The InChIKey is SHTPHAMRXCYAFW-ARLHGKGLSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-2-3-4-5-6-7-10-14(15(18)19)17-13-9-8-11-16-12-13/h13-14,16-17H,2-12H2,1H3,(H,18,19)/t13?,14-/m1/s1.
What are the key properties of (2R)-2-(piperidin-3-ylamino)decanoic acid?
(2R)-2-(piperidin-3-ylamino)decanoic acid has a molecular weight of 270.42 g/mol, XLogP of 2.53, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(piperidin-3-ylamino)decanoic acid is sourced from PubChem (CID 160838910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).