(2S)-2-amino-6-(1-carboxypropylideneamino)hexanoic acid

C10H18N2O4 — CID 154571990

IUPAC(2S)-2-amino-6-(1-carboxypropylideneamino)hexanoic acid
SMILESCC/C(=N\CCCC[C@H](N)C(=O)O)C(=O)O
InChIInChI=1S/C10H18N2O4/c1-2-8(10(15)16)12-6-4-3-5-7(11)9(13)14/h7H,2-6,11H2,1H3,(H,13,14)(H,15,16)/b12-8+/t7-/m0/s1
InChIKeyCWKRAMLJAYWANT-ZMMCGQQISA-N
MW230.26 g/mol
LogP0.50
Rot. Bonds8

About (2S)-2-amino-6-(1-carboxypropylideneamino)hexanoic acid

(2S)-2-amino-6-(1-carboxypropylideneamino)hexanoic acid (PubChem CID 154571990) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is (2S)-2-amino-6-(1-carboxypropylideneamino)hexanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-6-(1-carboxypropylideneamino)hexanoic acid
PubChem CID154571990
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name(2S)-2-amino-6-(1-carboxypropylideneamino)hexanoic acid
SMILESCC/C(=N\CCCC[C@H](N)C(=O)O)C(=O)O
InChIInChI=1S/C10H18N2O4/c1-2-8(10(15)16)12-6-4-3-5-7(11)9(13)14/h7H,2-6,11H2,1H3,(H,13,14)(H,15,16)/b12-8+/t7-/m0/s1
InChIKeyCWKRAMLJAYWANT-ZMMCGQQISA-N
XLogP0.50
TPSA112.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-6-[(1-carboxy-3-oxobutylidene)amino]hexanoic acid
CID 137348558
(2R)-2-amino-6-[bis(ethylamino)methylideneamino]hexanoic acid
CID 11042985
(2S)-2-amino-5-(1-aminopropylideneamino)pentanoic acid;hydrochloride
CID 90470185
(2S)-2-aminobutanedioic acid;(2S)-2-amino-6-(diaminomethylideneamino)hexanoic acid
CID 158816513
(2S,7S)-2,7-diaminooctanedioic acid
CID 7033159
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;2-propylguanidine
CID 87334568
(2R)-2-amino-6-(diaminomethylideneamino)hexanoic acid;sulfuric acid
CID 139024984
2-amino-5-(diaminomethylideneamino)pentanoic acid;ethanol;hydrochloride
CID 174671345
(2R)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2R)-2-aminohexanoic acid
CID 160879747
2-amino-5-[(1-amino-2-methyloctylidene)amino]pentanoic acid
CID 154955000
(2R,8R)-2,8-diaminononanedioic acid
CID 6994849
(2S)-2-aminopentacosanoic acid
CID 158815459

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-6-(1-carboxypropylideneamino)hexanoic acid?
The IUPAC name of (2S)-2-amino-6-(1-carboxypropylideneamino)hexanoic acid (CID 154571990) is (2S)-2-amino-6-(1-carboxypropylideneamino)hexanoic acid.
What is the SMILES notation for (2S)-2-amino-6-(1-carboxypropylideneamino)hexanoic acid?
The canonical SMILES for (2S)-2-amino-6-(1-carboxypropylideneamino)hexanoic acid is CC/C(=N\CCCC[C@H](N)C(=O)O)C(=O)O.
What is the InChIKey of (2S)-2-amino-6-(1-carboxypropylideneamino)hexanoic acid?
The InChIKey is CWKRAMLJAYWANT-ZMMCGQQISA-N. The full InChI is InChI=1S/C10H18N2O4/c1-2-8(10(15)16)12-6-4-3-5-7(11)9(13)14/h7H,2-6,11H2,1H3,(H,13,14)(H,15,16)/b12-8+/t7-/m0/s1.
What are the key properties of (2S)-2-amino-6-(1-carboxypropylideneamino)hexanoic acid?
(2S)-2-amino-6-(1-carboxypropylideneamino)hexanoic acid has a molecular weight of 230.26 g/mol, XLogP of 0.50, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-6-(1-carboxypropylideneamino)hexanoic acid is sourced from PubChem (CID 154571990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).