1-[2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carboxamide

C11H22N6O2 — CID 84951908

IUPAC1-[2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1C(=O)C(N)CCCN=C(N)N
InChIInChI=1S/C11H22N6O2/c12-7(3-1-5-16-11(14)15)10(19)17-6-2-4-8(17)9(13)18/h7-8H,1-6,12H2,(H2,13,18)(H4,14,15,16)
InChIKeyGDWPHSRBYNSAAI-UHFFFAOYSA-N
MW270.34 g/mol
LogP-2.16
Rot. Bonds6

About 1-[2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carboxamide

1-[2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carboxamide (PubChem CID 84951908) has the molecular formula C11H22N6O2 and a molecular weight of 270.34 g/mol. Its IUPAC name is 1-[2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carboxamide
PubChem CID84951908
Molecular FormulaC11H22N6O2
Molecular Weight270.34 g/mol
Exact Mass270.18
IUPAC Name1-[2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1C(=O)C(N)CCCN=C(N)N
InChIInChI=1S/C11H22N6O2/c12-7(3-1-5-16-11(14)15)10(19)17-6-2-4-8(17)9(13)18/h7-8H,1-6,12H2,(H2,13,18)(H4,14,15,16)
InChIKeyGDWPHSRBYNSAAI-UHFFFAOYSA-N
XLogP-2.16
TPSA153.82 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 5-2.16
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)-1-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]-N-(2-amino-2-oxoethyl)pyrrolidine-2-carboxamide
CID 11001956
5-amino-2-[[2-[[1-[2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-oxopentanoic acid
CID 18246100
1-[2-[[1-[2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-4-carboxybutanoyl]pyrrolidine-2-carboxylic acid
CID 18246187
4-amino-2-[[2-[[1-[2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-4-oxobutanoic acid
CID 18246214
2-[[2-[[1-[2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-3-sulfanylpropanoyl]amino]pentanedioic acid
CID 18246158
4-amino-2-[[5-amino-2-[[1-[2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoic acid
CID 18246195
4-[[1-[2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-5-[(1-carboxy-2-hydroxyethyl)amino]-5-oxopentanoic acid
CID 18246188
(2S)-2-[[(2S)-1-[(2S)-2-amino-4-methylsulfanylbutanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoic acid
CID 145457041
(2S)-1-[(2S)-6-amino-2-[[(2S)-1-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]pyrrolidine-2-carboxylic acid
CID 10255286
2-[[2-[[1-[2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoic acid
CID 18246468
2-[[2-[[1-[2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]butanedioic acid
CID 18246452
2-[[2-[[1-[2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]propanoic acid
CID 18246449

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carboxamide (CID 84951908) is 1-[2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carboxamide is NC(=O)C1CCCN1C(=O)C(N)CCCN=C(N)N.
What is the InChIKey of 1-[2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carboxamide?
The InChIKey is GDWPHSRBYNSAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N6O2/c12-7(3-1-5-16-11(14)15)10(19)17-6-2-4-8(17)9(13)18/h7-8H,1-6,12H2,(H2,13,18)(H4,14,15,16).
What are the key properties of 1-[2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carboxamide?
1-[2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carboxamide has a molecular weight of 270.34 g/mol, XLogP of -2.16, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 84951908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).