(2S)-2-amino-6-(3,4-dihydro-2H-pyrrole-2-carbonylamino)hexanoic acid

C11H19N3O3 — CID 51055212

IUPAC(2S)-2-amino-6-(3,4-dihydro-2H-pyrrole-2-carbonylamino)hexanoic acid
SMILESN[C@@H](CCCCNC(=O)C1CCC=N1)C(=O)O
InChIInChI=1S/C11H19N3O3/c12-8(11(16)17)4-1-2-6-14-10(15)9-5-3-7-13-9/h7-9H,1-6,12H2,(H,14,15)(H,16,17)/t8-,9?/m0/s1
InChIKeyHFVPBQOSFYXKQZ-IENPIDJESA-N
MW241.29 g/mol
LogP-0.08
Rot. Bonds7

About (2S)-2-amino-6-(3,4-dihydro-2H-pyrrole-2-carbonylamino)hexanoic acid

(2S)-2-amino-6-(3,4-dihydro-2H-pyrrole-2-carbonylamino)hexanoic acid (PubChem CID 51055212) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is (2S)-2-amino-6-(3,4-dihydro-2H-pyrrole-2-carbonylamino)hexanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-6-(3,4-dihydro-2H-pyrrole-2-carbonylamino)hexanoic acid
PubChem CID51055212
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name(2S)-2-amino-6-(3,4-dihydro-2H-pyrrole-2-carbonylamino)hexanoic acid
SMILESN[C@@H](CCCCNC(=O)C1CCC=N1)C(=O)O
InChIInChI=1S/C11H19N3O3/c12-8(11(16)17)4-1-2-6-14-10(15)9-5-3-7-13-9/h7-9H,1-6,12H2,(H,14,15)(H,16,17)/t8-,9?/m0/s1
InChIKeyHFVPBQOSFYXKQZ-IENPIDJESA-N
XLogP-0.08
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2S)-2-amino-6-(3,4-dihydro-2H-pyrrole-2-carbonylamino)hexanoic acid with MolForge

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Related Compounds

2-amino-6-(piperidine-4-carbonylamino)hexanoic acid;ethane
CID 177180760
2-amino-6-(cyclopropylamino)hexanoic acid
CID 67330601
2-amino-6-(2-oxopropanoylamino)hexanoic acid
CID 59658344
(2S)-2-amino-6-(cyclopropyloxycarbonylamino)hexanoic acid
CID 90090745
2-amino-6-[[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]hexanoic acid
CID 175574435
(2S)-2-amino-6-(2-methylprop-2-enoylamino)hexanoic acid
CID 18391586
(2S)-2-amino-6-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]hexanoic acid
CID 167312289
(2S)-2-amino-6-[[(2R,3S)-3-ethynyloxolane-2-carbonyl]amino]hexanoic acid
CID 89404764
(2S,7S)-2,7-diaminooctanedioic acid
CID 7033159
2-amino-6-(methoxycarbonylamino)hexanoic acid
CID 10899722
4-aminobutylcarbamic acid;2,6-diaminohexanoic acid
CID 174985893
(2R,3R)-N-[(5S)-5,6-diamino-6-oxohexyl]-3-methyl-3,4-dihydro-2H-pyrrole-2-carboxamide
CID 149254100

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-6-(3,4-dihydro-2H-pyrrole-2-carbonylamino)hexanoic acid?
The IUPAC name of (2S)-2-amino-6-(3,4-dihydro-2H-pyrrole-2-carbonylamino)hexanoic acid (CID 51055212) is (2S)-2-amino-6-(3,4-dihydro-2H-pyrrole-2-carbonylamino)hexanoic acid.
What is the SMILES notation for (2S)-2-amino-6-(3,4-dihydro-2H-pyrrole-2-carbonylamino)hexanoic acid?
The canonical SMILES for (2S)-2-amino-6-(3,4-dihydro-2H-pyrrole-2-carbonylamino)hexanoic acid is N[C@@H](CCCCNC(=O)C1CCC=N1)C(=O)O.
What is the InChIKey of (2S)-2-amino-6-(3,4-dihydro-2H-pyrrole-2-carbonylamino)hexanoic acid?
The InChIKey is HFVPBQOSFYXKQZ-IENPIDJESA-N. The full InChI is InChI=1S/C11H19N3O3/c12-8(11(16)17)4-1-2-6-14-10(15)9-5-3-7-13-9/h7-9H,1-6,12H2,(H,14,15)(H,16,17)/t8-,9?/m0/s1.
What are the key properties of (2S)-2-amino-6-(3,4-dihydro-2H-pyrrole-2-carbonylamino)hexanoic acid?
(2S)-2-amino-6-(3,4-dihydro-2H-pyrrole-2-carbonylamino)hexanoic acid has a molecular weight of 241.29 g/mol, XLogP of -0.08, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-6-(3,4-dihydro-2H-pyrrole-2-carbonylamino)hexanoic acid is sourced from PubChem (CID 51055212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).