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

C10H19N5O5 — CID 7009612

IUPAC(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]butanedioic acid
SMILESNC(N)=NCCC[C@H](N)C(=O)N[C@@H](CC(=O)O)C(=O)O
InChIInChI=1S/C10H19N5O5/c11-5(2-1-3-14-10(12)13)8(18)15-6(9(19)20)4-7(16)17/h5-6H,1-4,11H2,(H,15,18)(H,16,17)(H,19,20)(H4,12,13,14)/t5-,6-/m0/s1
InChIKeySIFXMYAHXJGAFC-WDSKDSINSA-N
MW289.29 g/mol
LogP-2.59
Rot. Bonds9

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

(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]butanedioic acid (PubChem CID 7009612) has the molecular formula C10H19N5O5 and a molecular weight of 289.29 g/mol. Its IUPAC name is (2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]butanedioic acid.

Molecular Properties

Compound Name(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]butanedioic acid
PubChem CID7009612
Molecular FormulaC10H19N5O5
Molecular Weight289.29 g/mol
Exact Mass289.14
IUPAC Name(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]butanedioic acid
SMILESNC(N)=NCCC[C@H](N)C(=O)N[C@@H](CC(=O)O)C(=O)O
InChIInChI=1S/C10H19N5O5/c11-5(2-1-3-14-10(12)13)8(18)15-6(9(19)20)4-7(16)17/h5-6H,1-4,11H2,(H,15,18)(H,16,17)(H,19,20)(H4,12,13,14)/t5-,6-/m0/s1
InChIKeySIFXMYAHXJGAFC-WDSKDSINSA-N
XLogP-2.59
TPSA194.12 Ų
H-Bond Donors6
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.29
LogP ≤ 5-2.59
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]butanedioic acid?
The IUPAC name of (2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]butanedioic acid (CID 7009612) is (2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]butanedioic acid.
What is the SMILES notation for (2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]butanedioic acid?
The canonical SMILES for (2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]butanedioic acid is NC(N)=NCCC[C@H](N)C(=O)N[C@@H](CC(=O)O)C(=O)O.
What is the InChIKey of (2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]butanedioic acid?
The InChIKey is SIFXMYAHXJGAFC-WDSKDSINSA-N. The full InChI is InChI=1S/C10H19N5O5/c11-5(2-1-3-14-10(12)13)8(18)15-6(9(19)20)4-7(16)17/h5-6H,1-4,11H2,(H,15,18)(H,16,17)(H,19,20)(H4,12,13,14)/t5-,6-/m0/s1.
What are the key properties of (2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]butanedioic acid?
(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]butanedioic acid has a molecular weight of 289.29 g/mol, XLogP of -2.59, 9 rotatable bonds, 6 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]butanedioic acid is sourced from PubChem (CID 7009612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).