(2S)-2-(6-carboxyhexylamino)decanoic acid

C17H33NO4 — CID 124673847

IUPAC(2S)-2-(6-carboxyhexylamino)decanoic acid
SMILESCCCCCCCC[C@H](NCCCCCCC(=O)O)C(=O)O
InChIInChI=1S/C17H33NO4/c1-2-3-4-5-6-9-12-15(17(21)22)18-14-11-8-7-10-13-16(19)20/h15,18H,2-14H2,1H3,(H,19,20)(H,21,22)/t15-/m0/s1
InChIKeyRMULVRVHQLGEQA-HNNXBMFYSA-N
MW315.45 g/mol
LogP3.81
Rot. Bonds16

About (2S)-2-(6-carboxyhexylamino)decanoic acid

(2S)-2-(6-carboxyhexylamino)decanoic acid (PubChem CID 124673847) has the molecular formula C17H33NO4 and a molecular weight of 315.45 g/mol. Its IUPAC name is (2S)-2-(6-carboxyhexylamino)decanoic acid.

Molecular Properties

Compound Name(2S)-2-(6-carboxyhexylamino)decanoic acid
PubChem CID124673847
Molecular FormulaC17H33NO4
Molecular Weight315.45 g/mol
Exact Mass315.24
IUPAC Name(2S)-2-(6-carboxyhexylamino)decanoic acid
SMILESCCCCCCCC[C@H](NCCCCCCC(=O)O)C(=O)O
InChIInChI=1S/C17H33NO4/c1-2-3-4-5-6-9-12-15(17(21)22)18-14-11-8-7-10-13-16(19)20/h15,18H,2-14H2,1H3,(H,19,20)(H,21,22)/t15-/m0/s1
InChIKeyRMULVRVHQLGEQA-HNNXBMFYSA-N
XLogP3.81
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.45
LogP ≤ 53.81
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-(pentylamino)octanoic acid
CID 129188286
(2S)-2-(hexylamino)pentanedioic acid
CID 54122466
2-(octadecylamino)pentanedioic acid
CID 18765951
2-(3-hydroxyoctylamino)nonanedioic acid
CID 88722519
2-(dodecylamino)hexanoic acid
CID 139637216
sodium;(2S)-2-(hexadecylamino)pentanedioic acid;hydride
CID 174767967
potassium;hydride;(2R)-2-(tetradecylamino)pentanedioic acid
CID 174683925
2-[2-(1-carboxynonylamino)ethylamino]decanoic acid
CID 86120299
2-(propylamino)tetradecanoic acid
CID 54527307
(2S)-2-(15-carboxypentadecylamino)pentanedioic acid
CID 90970159
6-amino-2-(hexylamino)hexanoic acid
CID 87424914
2-(6-aminohexylamino)decanedioic acid
CID 140815288

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(6-carboxyhexylamino)decanoic acid?
The IUPAC name of (2S)-2-(6-carboxyhexylamino)decanoic acid (CID 124673847) is (2S)-2-(6-carboxyhexylamino)decanoic acid.
What is the SMILES notation for (2S)-2-(6-carboxyhexylamino)decanoic acid?
The canonical SMILES for (2S)-2-(6-carboxyhexylamino)decanoic acid is CCCCCCCC[C@H](NCCCCCCC(=O)O)C(=O)O.
What is the InChIKey of (2S)-2-(6-carboxyhexylamino)decanoic acid?
The InChIKey is RMULVRVHQLGEQA-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H33NO4/c1-2-3-4-5-6-9-12-15(17(21)22)18-14-11-8-7-10-13-16(19)20/h15,18H,2-14H2,1H3,(H,19,20)(H,21,22)/t15-/m0/s1.
What are the key properties of (2S)-2-(6-carboxyhexylamino)decanoic acid?
(2S)-2-(6-carboxyhexylamino)decanoic acid has a molecular weight of 315.45 g/mol, XLogP of 3.81, 16 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(6-carboxyhexylamino)decanoic acid is sourced from PubChem (CID 124673847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).