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

C10H22N6O3 — CID 87289489

IUPAC(2S)-2-amino-4-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]butanoic acid
SMILESNC(N)=NCCCC(N)C(=O)NCC[C@H](N)C(=O)O
InChIInChI=1S/C10H22N6O3/c11-6(2-1-4-16-10(13)14)8(17)15-5-3-7(12)9(18)19/h6-7H,1-5,11-12H2,(H,15,17)(H,18,19)(H4,13,14,16)/t6?,7-/m0/s1
InChIKeyWHYGZVAHHCWORJ-MLWJPKLSSA-N
MW274.32 g/mol
LogP-2.71
Rot. Bonds9

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

(2S)-2-amino-4-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]butanoic acid (PubChem CID 87289489) has the molecular formula C10H22N6O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is (2S)-2-amino-4-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]butanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-4-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]butanoic acid
PubChem CID87289489
Molecular FormulaC10H22N6O3
Molecular Weight274.32 g/mol
Exact Mass274.18
IUPAC Name(2S)-2-amino-4-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]butanoic acid
SMILESNC(N)=NCCCC(N)C(=O)NCC[C@H](N)C(=O)O
InChIInChI=1S/C10H22N6O3/c11-6(2-1-4-16-10(13)14)8(17)15-5-3-7(12)9(18)19/h6-7H,1-5,11-12H2,(H,15,17)(H,18,19)(H4,13,14,16)/t6?,7-/m0/s1
InChIKeyWHYGZVAHHCWORJ-MLWJPKLSSA-N
XLogP-2.71
TPSA182.84 Ų
H-Bond Donors6
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.32
LogP ≤ 5-2.71
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'}

Analyze (2S)-2-amino-4-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]butanoic acid with MolForge

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Related Compounds

acetic acid;2-amino-N-[10-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]decyl]-5-(diaminomethylideneamino)pentanamide
CID 54604077
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-N-butyl-5-(diaminomethylideneamino)pentanamide
CID 22801050
2-amino-5-(diaminomethylideneamino)pentanoic acid;2-aminopropanoic acid
CID 21226270
acetic acid;(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;hydrochloride
CID 175411630
sodium;2-amino-5-(diaminomethylideneamino)pentanoic acid;chloride
CID 87252256

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]butanoic acid?
The IUPAC name of (2S)-2-amino-4-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]butanoic acid (CID 87289489) is (2S)-2-amino-4-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]butanoic acid.
What is the SMILES notation for (2S)-2-amino-4-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]butanoic acid?
The canonical SMILES for (2S)-2-amino-4-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]butanoic acid is NC(N)=NCCCC(N)C(=O)NCC[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-4-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]butanoic acid?
The InChIKey is WHYGZVAHHCWORJ-MLWJPKLSSA-N. The full InChI is InChI=1S/C10H22N6O3/c11-6(2-1-4-16-10(13)14)8(17)15-5-3-7(12)9(18)19/h6-7H,1-5,11-12H2,(H,15,17)(H,18,19)(H4,13,14,16)/t6?,7-/m0/s1.
What are the key properties of (2S)-2-amino-4-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]butanoic acid?
(2S)-2-amino-4-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]butanoic acid has a molecular weight of 274.32 g/mol, XLogP of -2.71, 9 rotatable bonds, 6 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]butanoic acid is sourced from PubChem (CID 87289489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).