(2S)-2-amino-5-(diaminomethylideneamino)-5-hydroxypentanoic acid

C6H14N4O3 — CID 71448989

IUPAC(2S)-2-amino-5-(diaminomethylideneamino)-5-hydroxypentanoic acid
SMILESNC(N)=NC(O)CC[C@H](N)C(=O)O
InChIInChI=1S/C6H14N4O3/c7-3(5(12)13)1-2-4(11)10-6(8)9/h3-4,11H,1-2,7H2,(H,12,13)(H4,8,9,10)/t3-,4?/m0/s1
InChIKeyWWURQGFETAMJQN-WUCPZUCCSA-N
MW190.20 g/mol
LogP-2.23
Rot. Bonds5

About (2S)-2-amino-5-(diaminomethylideneamino)-5-hydroxypentanoic acid

(2S)-2-amino-5-(diaminomethylideneamino)-5-hydroxypentanoic acid (PubChem CID 71448989) has the molecular formula C6H14N4O3 and a molecular weight of 190.20 g/mol. Its IUPAC name is (2S)-2-amino-5-(diaminomethylideneamino)-5-hydroxypentanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-5-(diaminomethylideneamino)-5-hydroxypentanoic acid
PubChem CID71448989
Molecular FormulaC6H14N4O3
Molecular Weight190.20 g/mol
Exact Mass190.11
IUPAC Name(2S)-2-amino-5-(diaminomethylideneamino)-5-hydroxypentanoic acid
SMILESNC(N)=NC(O)CC[C@H](N)C(=O)O
InChIInChI=1S/C6H14N4O3/c7-3(5(12)13)1-2-4(11)10-6(8)9/h3-4,11H,1-2,7H2,(H,12,13)(H4,8,9,10)/t3-,4?/m0/s1
InChIKeyWWURQGFETAMJQN-WUCPZUCCSA-N
XLogP-2.23
TPSA147.95 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 5-2.23
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2S)-2-amino-5-(diaminomethylideneamino)-5-hydroxypentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,5S)-2,5-diaminohexanedioic acid
CID 22871875
2-amino-5-(diaminomethylideneamino)heptanoic acid
CID 87665653
(2S)-2-amino-4-(diaminomethylideneamino)butanoic acid
CID 11389551
2-amino-5-[[amino(hydrazinyl)methylidene]amino]-5-(diaminomethylideneamino)pentanoic acid
CID 174735691
(2S,5S)-2-amino-5-(diaminomethylideneamino)hexanoic acid;bis(2,2,2-trifluoroacetic acid)
CID 23657389
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2R,3R)-2,3-dihydroxybutanedioic acid
CID 162085050
potassium 2-amino-5-(diaminomethylideneamino)pentanoic acid
CID 22005786
bis(2-amino-5-(diaminomethylideneamino)pentanoic acid);zinc
CID 154941617
2-amino-5-(diaminomethylideneamino)pentanoic acid;ruthenium(2+)
CID 23025269
2-amino-5-(diaminomethylideneamino)pentanoic acid;carbonic acid
CID 10198591
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;methane
CID 146220305
(2R)-2-amino-5-(diamino(113C)methylideneamino)(1,2,3,4,5-13C5)pentanoic acid;hydrochloride
CID 135705200

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-(diaminomethylideneamino)-5-hydroxypentanoic acid?
The IUPAC name of (2S)-2-amino-5-(diaminomethylideneamino)-5-hydroxypentanoic acid (CID 71448989) is (2S)-2-amino-5-(diaminomethylideneamino)-5-hydroxypentanoic acid.
What is the SMILES notation for (2S)-2-amino-5-(diaminomethylideneamino)-5-hydroxypentanoic acid?
The canonical SMILES for (2S)-2-amino-5-(diaminomethylideneamino)-5-hydroxypentanoic acid is NC(N)=NC(O)CC[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-5-(diaminomethylideneamino)-5-hydroxypentanoic acid?
The InChIKey is WWURQGFETAMJQN-WUCPZUCCSA-N. The full InChI is InChI=1S/C6H14N4O3/c7-3(5(12)13)1-2-4(11)10-6(8)9/h3-4,11H,1-2,7H2,(H,12,13)(H4,8,9,10)/t3-,4?/m0/s1.
What are the key properties of (2S)-2-amino-5-(diaminomethylideneamino)-5-hydroxypentanoic acid?
(2S)-2-amino-5-(diaminomethylideneamino)-5-hydroxypentanoic acid has a molecular weight of 190.20 g/mol, XLogP of -2.23, 5 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-(diaminomethylideneamino)-5-hydroxypentanoic acid is sourced from PubChem (CID 71448989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).