(2S)-2-amino-5-(diaminomethylideneamino)-N-[[4-(hydroxymethyl)phenyl]methyl]pentanamide

C14H23N5O2 — CID 67615329

IUPAC(2S)-2-amino-5-(diaminomethylideneamino)-N-[[4-(hydroxymethyl)phenyl]methyl]pentanamide
SMILESNC(N)=NCCC[C@H](N)C(=O)NCc1ccc(CO)cc1
InChIInChI=1S/C14H23N5O2/c15-12(2-1-7-18-14(16)17)13(21)19-8-10-3-5-11(9-20)6-4-10/h3-6,12,20H,1-2,7-9,15H2,(H,19,21)(H4,16,17,18)/t12-/m0/s1
InChIKeyBLGAYKJKLUPDHC-LBPRGKRZSA-N
MW293.37 g/mol
LogP-0.82
Rot. Bonds8

About (2S)-2-amino-5-(diaminomethylideneamino)-N-[[4-(hydroxymethyl)phenyl]methyl]pentanamide

(2S)-2-amino-5-(diaminomethylideneamino)-N-[[4-(hydroxymethyl)phenyl]methyl]pentanamide (PubChem CID 67615329) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is (2S)-2-amino-5-(diaminomethylideneamino)-N-[[4-(hydroxymethyl)phenyl]methyl]pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-5-(diaminomethylideneamino)-N-[[4-(hydroxymethyl)phenyl]methyl]pentanamide
PubChem CID67615329
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name(2S)-2-amino-5-(diaminomethylideneamino)-N-[[4-(hydroxymethyl)phenyl]methyl]pentanamide
SMILESNC(N)=NCCC[C@H](N)C(=O)NCc1ccc(CO)cc1
InChIInChI=1S/C14H23N5O2/c15-12(2-1-7-18-14(16)17)13(21)19-8-10-3-5-11(9-20)6-4-10/h3-6,12,20H,1-2,7-9,15H2,(H,19,21)(H4,16,17,18)/t12-/m0/s1
InChIKeyBLGAYKJKLUPDHC-LBPRGKRZSA-N
XLogP-0.82
TPSA139.75 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 5-0.82
H-Bond Donors ≤ 55
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

deamino-Phg(4-MeOH)-Pro-Lys-Arg-NH2
CID 146257253
2-[[4-(hydroxymethyl)phenyl]methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 107230810
2-[[4-(hydroxymethyl)phenyl]methylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 107231004
2-amino-3,3,3-trifluoro-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methylpropanamide
CID 107231164
N-[[4-(hydroxymethyl)phenyl]methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 107231218
N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]piperidine-2-carboxamide
CID 119301136
(2S)-2-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]propanamide
CID 119301140
2-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]-2-methylpropanamide
CID 119301142
2-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]acetamide
CID 119301146
N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 119301152
1-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]cyclopentane-1-carboxamide
CID 119301154
2-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]pentanamide
CID 119301156

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-(diaminomethylideneamino)-N-[[4-(hydroxymethyl)phenyl]methyl]pentanamide?
The IUPAC name of (2S)-2-amino-5-(diaminomethylideneamino)-N-[[4-(hydroxymethyl)phenyl]methyl]pentanamide (CID 67615329) is (2S)-2-amino-5-(diaminomethylideneamino)-N-[[4-(hydroxymethyl)phenyl]methyl]pentanamide.
What is the SMILES notation for (2S)-2-amino-5-(diaminomethylideneamino)-N-[[4-(hydroxymethyl)phenyl]methyl]pentanamide?
The canonical SMILES for (2S)-2-amino-5-(diaminomethylideneamino)-N-[[4-(hydroxymethyl)phenyl]methyl]pentanamide is NC(N)=NCCC[C@H](N)C(=O)NCc1ccc(CO)cc1.
What is the InChIKey of (2S)-2-amino-5-(diaminomethylideneamino)-N-[[4-(hydroxymethyl)phenyl]methyl]pentanamide?
The InChIKey is BLGAYKJKLUPDHC-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H23N5O2/c15-12(2-1-7-18-14(16)17)13(21)19-8-10-3-5-11(9-20)6-4-10/h3-6,12,20H,1-2,7-9,15H2,(H,19,21)(H4,16,17,18)/t12-/m0/s1.
What are the key properties of (2S)-2-amino-5-(diaminomethylideneamino)-N-[[4-(hydroxymethyl)phenyl]methyl]pentanamide?
(2S)-2-amino-5-(diaminomethylideneamino)-N-[[4-(hydroxymethyl)phenyl]methyl]pentanamide has a molecular weight of 293.37 g/mol, XLogP of -0.82, 8 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-(diaminomethylideneamino)-N-[[4-(hydroxymethyl)phenyl]methyl]pentanamide is sourced from PubChem (CID 67615329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).