2-[[2-[(2-aminoacetyl)-(5-aminopentyl)amino]acetyl]amino]ethyl carbamate

C12H25N5O4 — CID 142056349

IUPAC2-[[2-[(2-aminoacetyl)-(5-aminopentyl)amino]acetyl]amino]ethyl carbamate
SMILESNCCCCCN(CC(=O)NCCOC(N)=O)C(=O)CN
InChIInChI=1S/C12H25N5O4/c13-4-2-1-3-6-17(11(19)8-14)9-10(18)16-5-7-21-12(15)20/h1-9,13-14H2,(H2,15,20)(H,16,18)
InChIKeyHORGCWXICOECEK-UHFFFAOYSA-N
MW303.36 g/mol
LogP-1.89
Rot. Bonds11

About 2-[[2-[(2-aminoacetyl)-(5-aminopentyl)amino]acetyl]amino]ethyl carbamate

2-[[2-[(2-aminoacetyl)-(5-aminopentyl)amino]acetyl]amino]ethyl carbamate (PubChem CID 142056349) has the molecular formula C12H25N5O4 and a molecular weight of 303.36 g/mol. Its IUPAC name is 2-[[2-[(2-aminoacetyl)-(5-aminopentyl)amino]acetyl]amino]ethyl carbamate.

Molecular Properties

Compound Name2-[[2-[(2-aminoacetyl)-(5-aminopentyl)amino]acetyl]amino]ethyl carbamate
PubChem CID142056349
Molecular FormulaC12H25N5O4
Molecular Weight303.36 g/mol
Exact Mass303.19
IUPAC Name2-[[2-[(2-aminoacetyl)-(5-aminopentyl)amino]acetyl]amino]ethyl carbamate
SMILESNCCCCCN(CC(=O)NCCOC(N)=O)C(=O)CN
InChIInChI=1S/C12H25N5O4/c13-4-2-1-3-6-17(11(19)8-14)9-10(18)16-5-7-21-12(15)20/h1-9,13-14H2,(H2,15,20)(H,16,18)
InChIKeyHORGCWXICOECEK-UHFFFAOYSA-N
XLogP-1.89
TPSA153.77 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 5-1.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[2-[[2-(4-aminobutylamino)acetyl]-(5-aminopentyl)amino]acetyl]amino]ethyl carbamate
CID 142056474
[2-amino-5-(diaminomethylideneamino)pentyl] N-(7-aminoheptyl)-N-[2-(2-carbamoyloxyethylamino)-2-oxoethyl]carbamate
CID 142056421
[6-amino-2-[[2-[7-aminoheptyl-[2-(7-aminoheptylamino)acetyl]amino]acetyl]amino]hexyl] carbamate
CID 22095007
9-aminononyl carbamate
CID 87884060
2-(3-aminopropylamino)ethyl carbamate
CID 83209629
4-(3-aminopropylamino)butyl-[2-[6-(diaminomethylideneamino)hexylamino]-2-oxoethyl]carbamic acid
CID 56651909
CID 59872885
CID 59872885
1-(4-aminobutyl)-1-octadecylurea
CID 139835772
6-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]hexanamide
CID 106236522
2-[(6-amino-4-methylhexanoyl)amino]ethyl carbamate
CID 83210194
ethyl carbamate;hexane-1,6-diamine
CID 161407066
2-[3-aminopropyl(propan-2-yl)amino]-N-(2-methoxyethyl)acetamide
CID 61487571

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2-aminoacetyl)-(5-aminopentyl)amino]acetyl]amino]ethyl carbamate?
The IUPAC name of 2-[[2-[(2-aminoacetyl)-(5-aminopentyl)amino]acetyl]amino]ethyl carbamate (CID 142056349) is 2-[[2-[(2-aminoacetyl)-(5-aminopentyl)amino]acetyl]amino]ethyl carbamate.
What is the SMILES notation for 2-[[2-[(2-aminoacetyl)-(5-aminopentyl)amino]acetyl]amino]ethyl carbamate?
The canonical SMILES for 2-[[2-[(2-aminoacetyl)-(5-aminopentyl)amino]acetyl]amino]ethyl carbamate is NCCCCCN(CC(=O)NCCOC(N)=O)C(=O)CN.
What is the InChIKey of 2-[[2-[(2-aminoacetyl)-(5-aminopentyl)amino]acetyl]amino]ethyl carbamate?
The InChIKey is HORGCWXICOECEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N5O4/c13-4-2-1-3-6-17(11(19)8-14)9-10(18)16-5-7-21-12(15)20/h1-9,13-14H2,(H2,15,20)(H,16,18).
What are the key properties of 2-[[2-[(2-aminoacetyl)-(5-aminopentyl)amino]acetyl]amino]ethyl carbamate?
2-[[2-[(2-aminoacetyl)-(5-aminopentyl)amino]acetyl]amino]ethyl carbamate has a molecular weight of 303.36 g/mol, XLogP of -1.89, 11 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2-aminoacetyl)-(5-aminopentyl)amino]acetyl]amino]ethyl carbamate is sourced from PubChem (CID 142056349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).