(2S)-2-amino-6-(dodecylcarbamoylamino)hexanoic acid

C19H39N3O3 — CID 15825732

IUPAC(2S)-2-amino-6-(dodecylcarbamoylamino)hexanoic acid
SMILESCCCCCCCCCCCCNC(=O)NCCCC[C@H](N)C(=O)O
InChIInChI=1S/C19H39N3O3/c1-2-3-4-5-6-7-8-9-10-12-15-21-19(25)22-16-13-11-14-17(20)18(23)24/h17H,2-16,20H2,1H3,(H,23,24)(H2,21,22,25)/t17-/m0/s1
InChIKeyRVGTYGGJKPXTCQ-KRWDZBQOSA-N
MW357.54 g/mol
LogP3.79
Rot. Bonds17

About (2S)-2-amino-6-(dodecylcarbamoylamino)hexanoic acid

(2S)-2-amino-6-(dodecylcarbamoylamino)hexanoic acid (PubChem CID 15825732) has the molecular formula C19H39N3O3 and a molecular weight of 357.54 g/mol. Its IUPAC name is (2S)-2-amino-6-(dodecylcarbamoylamino)hexanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-6-(dodecylcarbamoylamino)hexanoic acid
PubChem CID15825732
Molecular FormulaC19H39N3O3
Molecular Weight357.54 g/mol
Exact Mass357.30
IUPAC Name(2S)-2-amino-6-(dodecylcarbamoylamino)hexanoic acid
SMILESCCCCCCCCCCCCNC(=O)NCCCC[C@H](N)C(=O)O
InChIInChI=1S/C19H39N3O3/c1-2-3-4-5-6-7-8-9-10-12-15-21-19(25)22-16-13-11-14-17(20)18(23)24/h17H,2-16,20H2,1H3,(H,23,24)(H2,21,22,25)/t17-/m0/s1
InChIKeyRVGTYGGJKPXTCQ-KRWDZBQOSA-N
XLogP3.79
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.54
LogP ≤ 53.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-6-(tetradecanoylamino)hexanoic acid
CID 6454263
2-amino-6-[6-(hexadecanoylamino)hexanoylamino]hexanoic acid
CID 174208894
2-aminotetracosanoic acid
CID 88730229
(2S)-2-aminopentacosanoic acid
CID 158815459
(2S)-2-aminododecanoic acid
CID 10560640
2-aminohexadecanoic acid;azane
CID 175267671
sodium;(2S)-2-aminotridecanoic acid;hydride
CID 174527444
(2S)-2-amino-6-(2-octanoyldodecanoylamino)hexanoic acid
CID 146471914
2-amino-6-(2-propylpentanoylamino)hexanoic acid
CID 164728968
(2S)-2-amino-6-(dodecanoylamino)hexanoic acid;N-octadecylformamide
CID 87995188
(2S)-2-amino-6-(butoxycarbonylamino)hexanoic acid
CID 87110620
2-amino-N-hexylhexanamide
CID 60852762

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-6-(dodecylcarbamoylamino)hexanoic acid?
The IUPAC name of (2S)-2-amino-6-(dodecylcarbamoylamino)hexanoic acid (CID 15825732) is (2S)-2-amino-6-(dodecylcarbamoylamino)hexanoic acid.
What is the SMILES notation for (2S)-2-amino-6-(dodecylcarbamoylamino)hexanoic acid?
The canonical SMILES for (2S)-2-amino-6-(dodecylcarbamoylamino)hexanoic acid is CCCCCCCCCCCCNC(=O)NCCCC[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-6-(dodecylcarbamoylamino)hexanoic acid?
The InChIKey is RVGTYGGJKPXTCQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H39N3O3/c1-2-3-4-5-6-7-8-9-10-12-15-21-19(25)22-16-13-11-14-17(20)18(23)24/h17H,2-16,20H2,1H3,(H,23,24)(H2,21,22,25)/t17-/m0/s1.
What are the key properties of (2S)-2-amino-6-(dodecylcarbamoylamino)hexanoic acid?
(2S)-2-amino-6-(dodecylcarbamoylamino)hexanoic acid has a molecular weight of 357.54 g/mol, XLogP of 3.79, 17 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-6-(dodecylcarbamoylamino)hexanoic acid is sourced from PubChem (CID 15825732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).