5-amino-N-[2-(carbamoylamino)ethyl]pentanamide

C8H18N4O2 — CID 83110523

IUPAC5-amino-N-[2-(carbamoylamino)ethyl]pentanamide
SMILESNCCCCC(=O)NCCNC(N)=O
InChIInChI=1S/C8H18N4O2/c9-4-2-1-3-7(13)11-5-6-12-8(10)14/h1-6,9H2,(H,11,13)(H3,10,12,14)
InChIKeyFLNRHXYHFFZNME-UHFFFAOYSA-N
MW202.26 g/mol
LogP-1.10
Rot. Bonds7

About 5-amino-N-[2-(carbamoylamino)ethyl]pentanamide

5-amino-N-[2-(carbamoylamino)ethyl]pentanamide (PubChem CID 83110523) has the molecular formula C8H18N4O2 and a molecular weight of 202.26 g/mol. Its IUPAC name is 5-amino-N-[2-(carbamoylamino)ethyl]pentanamide.

Molecular Properties

Compound Name5-amino-N-[2-(carbamoylamino)ethyl]pentanamide
PubChem CID83110523
Molecular FormulaC8H18N4O2
Molecular Weight202.26 g/mol
Exact Mass202.14
IUPAC Name5-amino-N-[2-(carbamoylamino)ethyl]pentanamide
SMILESNCCCCC(=O)NCCNC(N)=O
InChIInChI=1S/C8H18N4O2/c9-4-2-1-3-7(13)11-5-6-12-8(10)14/h1-6,9H2,(H,11,13)(H3,10,12,14)
InChIKeyFLNRHXYHFFZNME-UHFFFAOYSA-N
XLogP-1.10
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 5-1.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-amino-N-(7-aminoheptyl)hexanamide
CID 56980494
N,N'-bis(12-aminododecyl)octanediamide
CID 58602052
6-amino-N-(5-amino-5-oxopentyl)hexanamide
CID 106235898
N,N'-bis(7-aminoheptyl)pentanediamide
CID 86136288
13-amino-N-(6-aminohexyl)-6-oxotridecanamide
CID 157314658
N-(9-aminononyl)-9-oxononanamide
CID 174335255
N-(10-aminodecyl)-10-oxodecanamide
CID 174322290
7-amino-N-[2-(2-methylpropanoylamino)ethyl]heptanamide
CID 61249058
6-amino-N-[2-(2-methylpropanoylamino)ethyl]hexanamide
CID 61247753
7-amino-N-butylheptanamide
CID 24689519
15-(6-aminohexanoylamino)pentadecanoic acid
CID 170598253
8-(8-aminooctanoylamino)octanoic acid
CID 16654921

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-(carbamoylamino)ethyl]pentanamide?
The IUPAC name of 5-amino-N-[2-(carbamoylamino)ethyl]pentanamide (CID 83110523) is 5-amino-N-[2-(carbamoylamino)ethyl]pentanamide.
What is the SMILES notation for 5-amino-N-[2-(carbamoylamino)ethyl]pentanamide?
The canonical SMILES for 5-amino-N-[2-(carbamoylamino)ethyl]pentanamide is NCCCCC(=O)NCCNC(N)=O.
What is the InChIKey of 5-amino-N-[2-(carbamoylamino)ethyl]pentanamide?
The InChIKey is FLNRHXYHFFZNME-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4O2/c9-4-2-1-3-7(13)11-5-6-12-8(10)14/h1-6,9H2,(H,11,13)(H3,10,12,14).
What are the key properties of 5-amino-N-[2-(carbamoylamino)ethyl]pentanamide?
5-amino-N-[2-(carbamoylamino)ethyl]pentanamide has a molecular weight of 202.26 g/mol, XLogP of -1.10, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[2-(carbamoylamino)ethyl]pentanamide is sourced from PubChem (CID 83110523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).