(2R)-2-(3-carbamimidamidopropyl)-3-imino-6-(2-methoxyethoxy)hexanoic acid

C13H26N4O4 — CID 176535762

IUPAC(2R)-2-(3-carbamimidamidopropyl)-3-imino-6-(2-methoxyethoxy)hexanoic acid
SMILES[H]/N=C(\N)NCCC[C@@H](C(=O)O)/C(CCCOCCOC)=N/[H]
InChIInChI=1S/C13H26N4O4/c1-20-8-9-21-7-3-5-11(14)10(12(18)19)4-2-6-17-13(15)16/h10,14H,2-9H2,1H3,(H,18,19)(H4,15,16,17)/b14-11+/t10-/m1/s1
InChIKeyUEWSTNHWCGNJHT-PIYPRNMZSA-N
MW302.38 g/mol
LogP0.41
Rot. Bonds13

About (2R)-2-(3-carbamimidamidopropyl)-3-imino-6-(2-methoxyethoxy)hexanoic acid

(2R)-2-(3-carbamimidamidopropyl)-3-imino-6-(2-methoxyethoxy)hexanoic acid (PubChem CID 176535762) has the molecular formula C13H26N4O4 and a molecular weight of 302.38 g/mol. Its IUPAC name is (2R)-2-(3-carbamimidamidopropyl)-3-imino-6-(2-methoxyethoxy)hexanoic acid.

Molecular Properties

Compound Name(2R)-2-(3-carbamimidamidopropyl)-3-imino-6-(2-methoxyethoxy)hexanoic acid
PubChem CID176535762
Molecular FormulaC13H26N4O4
Molecular Weight302.38 g/mol
Exact Mass302.20
IUPAC Name(2R)-2-(3-carbamimidamidopropyl)-3-imino-6-(2-methoxyethoxy)hexanoic acid
SMILES[H]/N=C(\N)NCCC[C@@H](C(=O)O)/C(CCCOCCOC)=N/[H]
InChIInChI=1S/C13H26N4O4/c1-20-8-9-21-7-3-5-11(14)10(12(18)19)4-2-6-17-13(15)16/h10,14H,2-9H2,1H3,(H,18,19)(H4,15,16,17)/b14-11+/t10-/m1/s1
InChIKeyUEWSTNHWCGNJHT-PIYPRNMZSA-N
XLogP0.41
TPSA141.51 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 50.41
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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

4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]butanamide
CID 122695577
(2S)-2-[[7-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-oxoheptanoyl]amino]-5-[(N'-methylcarbamimidoyl)amino]pentanoic acid
CID 167554470
2-methoxycarbonyl-4-(2-methoxyethoxy)butanoic acid
CID 103973267
methyl 2-[3-(2-methoxyethoxy)propylamino]propanoate
CID 66173501
(2R)-2-[3-(2-methoxyethoxy)propylamino]propanoic acid
CID 103410935
1-(9-carbamimidamidononyl)guanidine
CID 176533990
N-[3-(2-methoxyethoxy)propyl]acetamide
CID 60668585
2-amino-4-[3-(2-methoxyethoxy)propoxy]butanoic acid
CID 103404603
acetic acid;4-methoxybutanimidamide
CID 162326172
4-(3-methoxypropoxy)butanoic acid
CID 60918159
(2S)-2-amino-N-[3-(2-methoxyethoxy)propyl]butanamide
CID 79023229
2-amino-N-[2-[3-(2-methoxyethoxy)propylamino]-2-oxoethyl]acetamide
CID 61274452

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-carbamimidamidopropyl)-3-imino-6-(2-methoxyethoxy)hexanoic acid?
The IUPAC name of (2R)-2-(3-carbamimidamidopropyl)-3-imino-6-(2-methoxyethoxy)hexanoic acid (CID 176535762) is (2R)-2-(3-carbamimidamidopropyl)-3-imino-6-(2-methoxyethoxy)hexanoic acid.
What is the SMILES notation for (2R)-2-(3-carbamimidamidopropyl)-3-imino-6-(2-methoxyethoxy)hexanoic acid?
The canonical SMILES for (2R)-2-(3-carbamimidamidopropyl)-3-imino-6-(2-methoxyethoxy)hexanoic acid is [H]/N=C(\N)NCCC[C@@H](C(=O)O)/C(CCCOCCOC)=N/[H].
What is the InChIKey of (2R)-2-(3-carbamimidamidopropyl)-3-imino-6-(2-methoxyethoxy)hexanoic acid?
The InChIKey is UEWSTNHWCGNJHT-PIYPRNMZSA-N. The full InChI is InChI=1S/C13H26N4O4/c1-20-8-9-21-7-3-5-11(14)10(12(18)19)4-2-6-17-13(15)16/h10,14H,2-9H2,1H3,(H,18,19)(H4,15,16,17)/b14-11+/t10-/m1/s1.
What are the key properties of (2R)-2-(3-carbamimidamidopropyl)-3-imino-6-(2-methoxyethoxy)hexanoic acid?
(2R)-2-(3-carbamimidamidopropyl)-3-imino-6-(2-methoxyethoxy)hexanoic acid has a molecular weight of 302.38 g/mol, XLogP of 0.41, 13 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-carbamimidamidopropyl)-3-imino-6-(2-methoxyethoxy)hexanoic acid is sourced from PubChem (CID 176535762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).