(5R)-2,5-diamino-N'-[4-(hydroxymethyl)phenyl]hexanediamide

C13H20N4O3 — CID 134519915

IUPAC(5R)-2,5-diamino-N'-[4-(hydroxymethyl)phenyl]hexanediamide
SMILESNC(=O)C(N)CC[C@@H](N)C(=O)Nc1ccc(CO)cc1
InChIInChI=1S/C13H20N4O3/c14-10(12(16)19)5-6-11(15)13(20)17-9-3-1-8(7-18)2-4-9/h1-4,10-11,18H,5-7,14-15H2,(H2,16,19)(H,17,20)/t10?,11-/m1/s1
InChIKeyUGWNTVSHVSILTA-RRKGBCIJSA-N
MW280.33 g/mol
LogP-0.96
Rot. Bonds7

About (5R)-2,5-diamino-N'-[4-(hydroxymethyl)phenyl]hexanediamide

(5R)-2,5-diamino-N'-[4-(hydroxymethyl)phenyl]hexanediamide (PubChem CID 134519915) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is (5R)-2,5-diamino-N'-[4-(hydroxymethyl)phenyl]hexanediamide.

Molecular Properties

Compound Name(5R)-2,5-diamino-N'-[4-(hydroxymethyl)phenyl]hexanediamide
PubChem CID134519915
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name(5R)-2,5-diamino-N'-[4-(hydroxymethyl)phenyl]hexanediamide
SMILESNC(=O)C(N)CC[C@@H](N)C(=O)Nc1ccc(CO)cc1
InChIInChI=1S/C13H20N4O3/c14-10(12(16)19)5-6-11(15)13(20)17-9-3-1-8(7-18)2-4-9/h1-4,10-11,18H,5-7,14-15H2,(H2,16,19)(H,17,20)/t10?,11-/m1/s1
InChIKeyUGWNTVSHVSILTA-RRKGBCIJSA-N
XLogP-0.96
TPSA144.46 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 5-0.96
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-N-[4-(hydroxymethyl)phenyl]propanamide
CID 103691721
(2S)-2-amino-N-[4-(hydroxymethyl)phenyl]propanamide;methanol;molecular hydrogen
CID 142530006
(2S)-2-amino-N-[4-(2-amino-2-oxoethyl)phenyl]pentanamide
CID 107568624
4-(2-aminopentanoylamino)benzamide;hydrochloride
CID 119262578
(2S)-2-amino-N-[3-(hydroxymethyl)phenyl]pentanamide
CID 107568565
(2S)-2-amino-N-(4-benzylphenyl)pentanediamide
CID 134586537
2-amino-N-(4-butylphenyl)pentanamide
CID 43650280
(2R)-N-(4-acetamidophenyl)-2-aminopentanamide
CID 113263757
2-amino-4-hydroxy-N-(4-octylphenyl)butanamide
CID 45483181
(2R)-2-amino-4-hydroxy-N-(4-octylphenyl)butanamide
CID 45254608
3-[4-[[(2S)-2-aminopentanoyl]amino]phenyl]propanoic acid
CID 107570295
2-(carbamoylamino)-N-[4-(hydroxymethyl)phenyl]-3-methylpentanamide
CID 64792800

Frequently Asked Questions

What is the IUPAC name of (5R)-2,5-diamino-N'-[4-(hydroxymethyl)phenyl]hexanediamide?
The IUPAC name of (5R)-2,5-diamino-N'-[4-(hydroxymethyl)phenyl]hexanediamide (CID 134519915) is (5R)-2,5-diamino-N'-[4-(hydroxymethyl)phenyl]hexanediamide.
What is the SMILES notation for (5R)-2,5-diamino-N'-[4-(hydroxymethyl)phenyl]hexanediamide?
The canonical SMILES for (5R)-2,5-diamino-N'-[4-(hydroxymethyl)phenyl]hexanediamide is NC(=O)C(N)CC[C@@H](N)C(=O)Nc1ccc(CO)cc1.
What is the InChIKey of (5R)-2,5-diamino-N'-[4-(hydroxymethyl)phenyl]hexanediamide?
The InChIKey is UGWNTVSHVSILTA-RRKGBCIJSA-N. The full InChI is InChI=1S/C13H20N4O3/c14-10(12(16)19)5-6-11(15)13(20)17-9-3-1-8(7-18)2-4-9/h1-4,10-11,18H,5-7,14-15H2,(H2,16,19)(H,17,20)/t10?,11-/m1/s1.
What are the key properties of (5R)-2,5-diamino-N'-[4-(hydroxymethyl)phenyl]hexanediamide?
(5R)-2,5-diamino-N'-[4-(hydroxymethyl)phenyl]hexanediamide has a molecular weight of 280.33 g/mol, XLogP of -0.96, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2,5-diamino-N'-[4-(hydroxymethyl)phenyl]hexanediamide is sourced from PubChem (CID 134519915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).