(2S)-2-amino-4-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]oxy-4-oxobutanoic acid

C10H19N5O5 — CID 57280496

IUPAC(2S)-2-amino-4-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]oxy-4-oxobutanoic acid
SMILESNC(N)=NCCC[C@H](N)C(=O)OC(=O)C[C@H](N)C(=O)O
InChIInChI=1S/C10H19N5O5/c11-5(2-1-3-15-10(13)14)9(19)20-7(16)4-6(12)8(17)18/h5-6H,1-4,11-12H2,(H,17,18)(H4,13,14,15)/t5-,6-/m0/s1
InChIKeyTUQGCDUGWKYBRM-WDSKDSINSA-N
MW289.29 g/mol
LogP-2.76
Rot. Bonds8

About (2S)-2-amino-4-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]oxy-4-oxobutanoic acid

(2S)-2-amino-4-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]oxy-4-oxobutanoic acid (PubChem CID 57280496) has the molecular formula C10H19N5O5 and a molecular weight of 289.29 g/mol. Its IUPAC name is (2S)-2-amino-4-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]oxy-4-oxobutanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-4-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]oxy-4-oxobutanoic acid
PubChem CID57280496
Molecular FormulaC10H19N5O5
Molecular Weight289.29 g/mol
Exact Mass289.14
IUPAC Name(2S)-2-amino-4-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]oxy-4-oxobutanoic acid
SMILESNC(N)=NCCC[C@H](N)C(=O)OC(=O)C[C@H](N)C(=O)O
InChIInChI=1S/C10H19N5O5/c11-5(2-1-3-15-10(13)14)9(19)20-7(16)4-6(12)8(17)18/h5-6H,1-4,11-12H2,(H,17,18)(H4,13,14,15)/t5-,6-/m0/s1
InChIKeyTUQGCDUGWKYBRM-WDSKDSINSA-N
XLogP-2.76
TPSA197.11 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 5-2.76
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-5-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]oxy-5-oxopentanoic acid
CID 57044405
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S)-2,4-diamino-4-oxobutanoic acid
CID 87308517
potassium 2-amino-5-(diaminomethylideneamino)pentanoic acid
CID 22005786
2-amino-5-(diaminomethylideneamino)pentanoic acid;carbonic acid
CID 10198591
2-amino-5-(diaminomethylideneamino)pentanoic acid;ruthenium(2+)
CID 23025269
(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
2-amino-5-(diaminomethylideneamino)pentanoic acid;cerium
CID 86698939
bis(2-amino-5-(diaminomethylideneamino)pentanoic acid);zinc
CID 154941617
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2R,3R)-2,3-dihydroxybutanedioic acid
CID 162085050
CID 141048538
CID 141048538
sodium;2-amino-5-(diaminomethylideneamino)pentanoic acid;chloride
CID 87252256

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]oxy-4-oxobutanoic acid?
The IUPAC name of (2S)-2-amino-4-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]oxy-4-oxobutanoic acid (CID 57280496) is (2S)-2-amino-4-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]oxy-4-oxobutanoic acid.
What is the SMILES notation for (2S)-2-amino-4-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]oxy-4-oxobutanoic acid?
The canonical SMILES for (2S)-2-amino-4-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]oxy-4-oxobutanoic acid is NC(N)=NCCC[C@H](N)C(=O)OC(=O)C[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-4-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]oxy-4-oxobutanoic acid?
The InChIKey is TUQGCDUGWKYBRM-WDSKDSINSA-N. The full InChI is InChI=1S/C10H19N5O5/c11-5(2-1-3-15-10(13)14)9(19)20-7(16)4-6(12)8(17)18/h5-6H,1-4,11-12H2,(H,17,18)(H4,13,14,15)/t5-,6-/m0/s1.
What are the key properties of (2S)-2-amino-4-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]oxy-4-oxobutanoic acid?
(2S)-2-amino-4-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]oxy-4-oxobutanoic acid has a molecular weight of 289.29 g/mol, XLogP of -2.76, 8 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]oxy-4-oxobutanoic acid is sourced from PubChem (CID 57280496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).