5-(diaminomethylideneamino)-2-[(1-propylpyrrolidine-2-carbonyl)amino]pentanoic acid

C14H27N5O3 — CID 23184420

IUPAC5-(diaminomethylideneamino)-2-[(1-propylpyrrolidine-2-carbonyl)amino]pentanoic acid
SMILESCCCN1CCCC1C(=O)NC(CCCN=C(N)N)C(=O)O
InChIInChI=1S/C14H27N5O3/c1-2-8-19-9-4-6-11(19)12(20)18-10(13(21)22)5-3-7-17-14(15)16/h10-11H,2-9H2,1H3,(H,18,20)(H,21,22)(H4,15,16,17)
InChIKeyLCHQJURRWDTMAD-UHFFFAOYSA-N
MW313.40 g/mol
LogP-0.52
Rot. Bonds9

About 5-(diaminomethylideneamino)-2-[(1-propylpyrrolidine-2-carbonyl)amino]pentanoic acid

5-(diaminomethylideneamino)-2-[(1-propylpyrrolidine-2-carbonyl)amino]pentanoic acid (PubChem CID 23184420) has the molecular formula C14H27N5O3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 5-(diaminomethylideneamino)-2-[(1-propylpyrrolidine-2-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name5-(diaminomethylideneamino)-2-[(1-propylpyrrolidine-2-carbonyl)amino]pentanoic acid
PubChem CID23184420
Molecular FormulaC14H27N5O3
Molecular Weight313.40 g/mol
Exact Mass313.21
IUPAC Name5-(diaminomethylideneamino)-2-[(1-propylpyrrolidine-2-carbonyl)amino]pentanoic acid
SMILESCCCN1CCCC1C(=O)NC(CCCN=C(N)N)C(=O)O
InChIInChI=1S/C14H27N5O3/c1-2-8-19-9-4-6-11(19)12(20)18-10(13(21)22)5-3-7-17-14(15)16/h10-11H,2-9H2,1H3,(H,18,20)(H,21,22)(H4,15,16,17)
InChIKeyLCHQJURRWDTMAD-UHFFFAOYSA-N
XLogP-0.52
TPSA134.04 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 5-0.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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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Related Compounds

(2S)-2-[[(2S)-1-(2-aminopropanoyl)pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoic acid
CID 173100088
(2R)-2-[[1-(2-amino-3-methylpentanoyl)pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoic acid
CID 88653183
2-[[1-[2-(2-aminopropanoylamino)-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoic acid
CID 18236435
2-[[1-[2-[(2-amino-3-methylpentanoyl)amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoic acid
CID 22702339
(2S)-2-[[(2S)-1-[(2S)-2-amino-4-methylsulfanylbutanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoic acid
CID 145457041
2-[[1-[2-[(2-amino-3-hydroxybutanoyl)amino]-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoic acid
CID 19940737
1-[(2S)-2-aminopropyl]-N-[(2R)-5-(diaminomethylideneamino)pentan-2-yl]pyrrolidine-2-carboxamide
CID 170365245
2-[[2-[[1-(2-amino-3-hydroxybutanoyl)pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
CID 18750708
2-[[2-[[1-(2-aminopropanoyl)pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
CID 18238431
(2S)-2-[[(2S)-1-[(2R)-2-[[2-(butanoylamino)acetyl]amino]-3-sulfanylpropanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoic acid
CID 59660897
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S)-1-hexadecylpyrrolidine-2-carboxylic acid
CID 160629894
(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]pentanedioic acid
CID 10482776

Frequently Asked Questions

What is the IUPAC name of 5-(diaminomethylideneamino)-2-[(1-propylpyrrolidine-2-carbonyl)amino]pentanoic acid?
The IUPAC name of 5-(diaminomethylideneamino)-2-[(1-propylpyrrolidine-2-carbonyl)amino]pentanoic acid (CID 23184420) is 5-(diaminomethylideneamino)-2-[(1-propylpyrrolidine-2-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 5-(diaminomethylideneamino)-2-[(1-propylpyrrolidine-2-carbonyl)amino]pentanoic acid?
The canonical SMILES for 5-(diaminomethylideneamino)-2-[(1-propylpyrrolidine-2-carbonyl)amino]pentanoic acid is CCCN1CCCC1C(=O)NC(CCCN=C(N)N)C(=O)O.
What is the InChIKey of 5-(diaminomethylideneamino)-2-[(1-propylpyrrolidine-2-carbonyl)amino]pentanoic acid?
The InChIKey is LCHQJURRWDTMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5O3/c1-2-8-19-9-4-6-11(19)12(20)18-10(13(21)22)5-3-7-17-14(15)16/h10-11H,2-9H2,1H3,(H,18,20)(H,21,22)(H4,15,16,17).
What are the key properties of 5-(diaminomethylideneamino)-2-[(1-propylpyrrolidine-2-carbonyl)amino]pentanoic acid?
5-(diaminomethylideneamino)-2-[(1-propylpyrrolidine-2-carbonyl)amino]pentanoic acid has a molecular weight of 313.40 g/mol, XLogP of -0.52, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diaminomethylideneamino)-2-[(1-propylpyrrolidine-2-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 23184420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).