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

C11H21N5O5 — CID 57044405

IUPAC(2S)-2-amino-5-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]oxy-5-oxopentanoic acid
SMILESNC(N)=NCCC[C@H](N)C(=O)OC(=O)CC[C@H](N)C(=O)O
InChIInChI=1S/C11H21N5O5/c12-6(9(18)19)3-4-8(17)21-10(20)7(13)2-1-5-16-11(14)15/h6-7H,1-5,12-13H2,(H,18,19)(H4,14,15,16)/t6-,7-/m0/s1
InChIKeyVTNDPHFIVYAKBL-BQBZGAKWSA-N
MW303.32 g/mol
LogP-2.37
Rot. Bonds9

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

(2S)-2-amino-5-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]oxy-5-oxopentanoic acid (PubChem CID 57044405) has the molecular formula C11H21N5O5 and a molecular weight of 303.32 g/mol. Its IUPAC name is (2S)-2-amino-5-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]oxy-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-5-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]oxy-5-oxopentanoic acid
PubChem CID57044405
Molecular FormulaC11H21N5O5
Molecular Weight303.32 g/mol
Exact Mass303.15
IUPAC Name(2S)-2-amino-5-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]oxy-5-oxopentanoic acid
SMILESNC(N)=NCCC[C@H](N)C(=O)OC(=O)CC[C@H](N)C(=O)O
InChIInChI=1S/C11H21N5O5/c12-6(9(18)19)3-4-8(17)21-10(20)7(13)2-1-5-16-11(14)15/h6-7H,1-5,12-13H2,(H,18,19)(H4,14,15,16)/t6-,7-/m0/s1
InChIKeyVTNDPHFIVYAKBL-BQBZGAKWSA-N
XLogP-2.37
TPSA197.11 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 5-2.37
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-4-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]oxy-4-oxobutanoic acid
CID 57280496
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;2-aminopentanedioic acid
CID 23618275
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid
CID 87266473
2-amino-5-(diaminomethylideneamino)pentanoic acid;cerium
CID 86698939
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
potassium 2-amino-5-(diaminomethylideneamino)pentanoic acid
CID 22005786
(2R)-2-amino-5-(diamino(113C)methylideneamino)(1,2,3,4,5-13C5)pentanoic acid;hydrochloride
CID 135705200
bis(2-amino-5-(diaminomethylideneamino)pentanoic acid);zinc
CID 154941617
CID 141048538
CID 141048538
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2R,3R)-2,3-dihydroxybutanedioic acid
CID 162085050

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]oxy-5-oxopentanoic acid?
The IUPAC name of (2S)-2-amino-5-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]oxy-5-oxopentanoic acid (CID 57044405) is (2S)-2-amino-5-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]oxy-5-oxopentanoic acid.
What is the SMILES notation for (2S)-2-amino-5-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]oxy-5-oxopentanoic acid?
The canonical SMILES for (2S)-2-amino-5-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]oxy-5-oxopentanoic acid is NC(N)=NCCC[C@H](N)C(=O)OC(=O)CC[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-5-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]oxy-5-oxopentanoic acid?
The InChIKey is VTNDPHFIVYAKBL-BQBZGAKWSA-N. The full InChI is InChI=1S/C11H21N5O5/c12-6(9(18)19)3-4-8(17)21-10(20)7(13)2-1-5-16-11(14)15/h6-7H,1-5,12-13H2,(H,18,19)(H4,14,15,16)/t6-,7-/m0/s1.
What are the key properties of (2S)-2-amino-5-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]oxy-5-oxopentanoic acid?
(2S)-2-amino-5-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]oxy-5-oxopentanoic acid has a molecular weight of 303.32 g/mol, XLogP of -2.37, 9 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]oxy-5-oxopentanoic acid is sourced from PubChem (CID 57044405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).