(4S)-4-amino-7-(diaminomethylideneamino)heptanoic acid

C8H18N4O2 — CID 87088129

IUPAC(4S)-4-amino-7-(diaminomethylideneamino)heptanoic acid
SMILESNC(N)=NCCC[C@H](N)CCC(=O)O
InChIInChI=1S/C8H18N4O2/c9-6(3-4-7(13)14)2-1-5-12-8(10)11/h6H,1-5,9H2,(H,13,14)(H4,10,11,12)/t6-/m0/s1
InChIKeyMZMVYPKOQHVKHX-LURJTMIESA-N
MW202.26 g/mol
LogP-0.77
Rot. Bonds7

About (4S)-4-amino-7-(diaminomethylideneamino)heptanoic acid

(4S)-4-amino-7-(diaminomethylideneamino)heptanoic acid (PubChem CID 87088129) has the molecular formula C8H18N4O2 and a molecular weight of 202.26 g/mol. Its IUPAC name is (4S)-4-amino-7-(diaminomethylideneamino)heptanoic acid.

Molecular Properties

Compound Name(4S)-4-amino-7-(diaminomethylideneamino)heptanoic acid
PubChem CID87088129
Molecular FormulaC8H18N4O2
Molecular Weight202.26 g/mol
Exact Mass202.14
IUPAC Name(4S)-4-amino-7-(diaminomethylideneamino)heptanoic acid
SMILESNC(N)=NCCC[C@H](N)CCC(=O)O
InChIInChI=1S/C8H18N4O2/c9-6(3-4-7(13)14)2-1-5-12-8(10)11/h6H,1-5,9H2,(H,13,14)(H4,10,11,12)/t6-/m0/s1
InChIKeyMZMVYPKOQHVKHX-LURJTMIESA-N
XLogP-0.77
TPSA127.72 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 5-0.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-amino-6-(diaminomethylideneamino)hexanoic acid
CID 54401739
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;2-aminopentanedioic acid
CID 23618275
(5S)-5-amino-8-(diaminomethylideneamino)-4-oxooctanoic acid
CID 137349850
(2S)-2-amino-6-(diaminomethylideneamino)hexanoic acid;(2S)-2-aminopentanedioic acid
CID 157154468
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S)-2-aminopentanedioic acid;(2S)-2-aminopropanoic acid
CID 3081032
4-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-[[1-carboxy-4-(diaminomethylideneamino)butyl]amino]-5-oxopentanoic acid
CID 18218691
2-amino-5-(diaminomethylideneamino)pentanoic acid;2-(4-amino-5-hydroxypentyl)guanidine
CID 154790102
2-(4-aminoheptyl)guanidine;dihydrochloride
CID 167727612
bis(2-amino-5-(diaminomethylideneamino)pentanoic acid);zinc
CID 154941617
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;methane
CID 146220305
2-amino-5-(diaminomethylideneamino)pentanoic acid;cerium
CID 86698939
2-amino-5-(diaminomethylideneamino)pentanoic acid;carbonic acid
CID 10198591

Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-7-(diaminomethylideneamino)heptanoic acid?
The IUPAC name of (4S)-4-amino-7-(diaminomethylideneamino)heptanoic acid (CID 87088129) is (4S)-4-amino-7-(diaminomethylideneamino)heptanoic acid.
What is the SMILES notation for (4S)-4-amino-7-(diaminomethylideneamino)heptanoic acid?
The canonical SMILES for (4S)-4-amino-7-(diaminomethylideneamino)heptanoic acid is NC(N)=NCCC[C@H](N)CCC(=O)O.
What is the InChIKey of (4S)-4-amino-7-(diaminomethylideneamino)heptanoic acid?
The InChIKey is MZMVYPKOQHVKHX-LURJTMIESA-N. The full InChI is InChI=1S/C8H18N4O2/c9-6(3-4-7(13)14)2-1-5-12-8(10)11/h6H,1-5,9H2,(H,13,14)(H4,10,11,12)/t6-/m0/s1.
What are the key properties of (4S)-4-amino-7-(diaminomethylideneamino)heptanoic acid?
(4S)-4-amino-7-(diaminomethylideneamino)heptanoic acid has a molecular weight of 202.26 g/mol, XLogP of -0.77, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-amino-7-(diaminomethylideneamino)heptanoic acid is sourced from PubChem (CID 87088129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).