1-[(2S)-2-aminopropyl]-N-[(2R)-5-(diaminomethylideneamino)pentan-2-yl]pyrrolidine-2-carboxamide

C14H30N6O — CID 170365245

IUPAC1-[(2S)-2-aminopropyl]-N-[(2R)-5-(diaminomethylideneamino)pentan-2-yl]pyrrolidine-2-carboxamide
SMILESC[C@H](N)CN1CCCC1C(=O)N[C@H](C)CCCN=C(N)N
InChIInChI=1S/C14H30N6O/c1-10(15)9-20-8-4-6-12(20)13(21)19-11(2)5-3-7-18-14(16)17/h10-12H,3-9,15H2,1-2H3,(H,19,21)(H4,16,17,18)/t10-,11+,12?/m0/s1
InChIKeyJWDIFHTXJRRLAZ-WIKAKEFZSA-N
MW298.44 g/mol
LogP-0.64
Rot. Bonds8

About 1-[(2S)-2-aminopropyl]-N-[(2R)-5-(diaminomethylideneamino)pentan-2-yl]pyrrolidine-2-carboxamide

1-[(2S)-2-aminopropyl]-N-[(2R)-5-(diaminomethylideneamino)pentan-2-yl]pyrrolidine-2-carboxamide (PubChem CID 170365245) has the molecular formula C14H30N6O and a molecular weight of 298.44 g/mol. Its IUPAC name is 1-[(2S)-2-aminopropyl]-N-[(2R)-5-(diaminomethylideneamino)pentan-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[(2S)-2-aminopropyl]-N-[(2R)-5-(diaminomethylideneamino)pentan-2-yl]pyrrolidine-2-carboxamide
PubChem CID170365245
Molecular FormulaC14H30N6O
Molecular Weight298.44 g/mol
Exact Mass298.25
IUPAC Name1-[(2S)-2-aminopropyl]-N-[(2R)-5-(diaminomethylideneamino)pentan-2-yl]pyrrolidine-2-carboxamide
SMILESC[C@H](N)CN1CCCC1C(=O)N[C@H](C)CCCN=C(N)N
InChIInChI=1S/C14H30N6O/c1-10(15)9-20-8-4-6-12(20)13(21)19-11(2)5-3-7-18-14(16)17/h10-12H,3-9,15H2,1-2H3,(H,19,21)(H4,16,17,18)/t10-,11+,12?/m0/s1
InChIKeyJWDIFHTXJRRLAZ-WIKAKEFZSA-N
XLogP-0.64
TPSA122.76 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.44
LogP ≤ 5-0.64
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

1-(2,6-diaminohexyl)-N-[6-(diaminomethylideneamino)-2-oxohexan-3-yl]pyrrolidine-2-carboxamide;ethane
CID 144745617
5-(diaminomethylideneamino)-2-[(1-propylpyrrolidine-2-carbonyl)amino]pentanoic acid
CID 23184420
(2S)-1-(2-aminopropanoyl)-N-[5-(diaminomethylideneamino)-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
CID 174419884
(2S)-2-[[(2S)-1-(2-aminopropanoyl)pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoic acid
CID 173100088
(2S)-1-[6-amino-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]hexanoyl]-N-[(2R)-5-(diaminomethylideneamino)pentan-2-yl]pyrrolidine-2-carboxamide
CID 140872323
(2S)-N-[(2S)-2-[[(2R)-2-amino-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]-1-ethylpyrrolidine-2-carboxamide
CID 54378525
1-(2-aminopropyl)-N-methylpiperidine-2-carboxamide
CID 102688966
(2R)-2-[[1-(2-amino-3-methylpentanoyl)pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoic acid
CID 88653183
(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]propanoic acid
CID 131726098
2-[[1-[2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoic acid
CID 18244381
2-[[1-[2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoic acid
CID 18240817
2-[[2-[[1-[2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoic acid
CID 18246468

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-aminopropyl]-N-[(2R)-5-(diaminomethylideneamino)pentan-2-yl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[(2S)-2-aminopropyl]-N-[(2R)-5-(diaminomethylideneamino)pentan-2-yl]pyrrolidine-2-carboxamide (CID 170365245) is 1-[(2S)-2-aminopropyl]-N-[(2R)-5-(diaminomethylideneamino)pentan-2-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[(2S)-2-aminopropyl]-N-[(2R)-5-(diaminomethylideneamino)pentan-2-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[(2S)-2-aminopropyl]-N-[(2R)-5-(diaminomethylideneamino)pentan-2-yl]pyrrolidine-2-carboxamide is C[C@H](N)CN1CCCC1C(=O)N[C@H](C)CCCN=C(N)N.
What is the InChIKey of 1-[(2S)-2-aminopropyl]-N-[(2R)-5-(diaminomethylideneamino)pentan-2-yl]pyrrolidine-2-carboxamide?
The InChIKey is JWDIFHTXJRRLAZ-WIKAKEFZSA-N. The full InChI is InChI=1S/C14H30N6O/c1-10(15)9-20-8-4-6-12(20)13(21)19-11(2)5-3-7-18-14(16)17/h10-12H,3-9,15H2,1-2H3,(H,19,21)(H4,16,17,18)/t10-,11+,12?/m0/s1.
What are the key properties of 1-[(2S)-2-aminopropyl]-N-[(2R)-5-(diaminomethylideneamino)pentan-2-yl]pyrrolidine-2-carboxamide?
1-[(2S)-2-aminopropyl]-N-[(2R)-5-(diaminomethylideneamino)pentan-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 298.44 g/mol, XLogP of -0.64, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-aminopropyl]-N-[(2R)-5-(diaminomethylideneamino)pentan-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 170365245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).