3-(aminomethyl)-N-[2-(carbamoylamino)ethyl]pentanamide

C9H20N4O2 — CID 83110778

IUPAC3-(aminomethyl)-N-[2-(carbamoylamino)ethyl]pentanamide
SMILESCCC(CN)CC(=O)NCCNC(N)=O
InChIInChI=1S/C9H20N4O2/c1-2-7(6-10)5-8(14)12-3-4-13-9(11)15/h7H,2-6,10H2,1H3,(H,12,14)(H3,11,13,15)
InChIKeyXHZKHXSQFJKXGA-UHFFFAOYSA-N
MW216.28 g/mol
LogP-0.85
Rot. Bonds7

About 3-(aminomethyl)-N-[2-(carbamoylamino)ethyl]pentanamide

3-(aminomethyl)-N-[2-(carbamoylamino)ethyl]pentanamide (PubChem CID 83110778) has the molecular formula C9H20N4O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is 3-(aminomethyl)-N-[2-(carbamoylamino)ethyl]pentanamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-[2-(carbamoylamino)ethyl]pentanamide
PubChem CID83110778
Molecular FormulaC9H20N4O2
Molecular Weight216.28 g/mol
Exact Mass216.16
IUPAC Name3-(aminomethyl)-N-[2-(carbamoylamino)ethyl]pentanamide
SMILESCCC(CN)CC(=O)NCCNC(N)=O
InChIInChI=1S/C9H20N4O2/c1-2-7(6-10)5-8(14)12-3-4-13-9(11)15/h7H,2-6,10H2,1H3,(H,12,14)(H3,11,13,15)
InChIKeyXHZKHXSQFJKXGA-UHFFFAOYSA-N
XLogP-0.85
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-0.85
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

3-(aminomethyl)-N-(4-amino-4-oxobutyl)pentanamide
CID 81075818
(3S)-3-(aminomethyl)-N-[2-(carbamoylamino)ethyl]-5-methylhexanamide
CID 83110554
3-(aminomethyl)-N-butylpentanamide
CID 81071551
3-[3-(aminomethyl)pentanoylamino]propanoic acid
CID 81086548
3-(aminomethyl)-N-(2-ethoxyethyl)pentanamide
CID 81071498
3-(aminomethyl)-N-(2-cyclopropylethyl)pentanamide
CID 81080317
4-[3-(aminomethyl)pentanoylamino]-2-hydroxybutanoic acid
CID 107836045
3-(aminomethyl)-N-[2-[di(propan-2-yl)amino]ethyl]pentanamide
CID 81070103
3-(aminomethyl)-N-(7-methyloctyl)pentanamide
CID 81086572
3-(aminomethyl)-N-(4-methoxybutyl)pentanamide
CID 81087341
3-(aminomethyl)-N-[3-(butan-2-ylamino)-3-oxopropyl]pentanamide
CID 81086542
3-(aminomethyl)-N-[3-(diethylamino)propyl]pentanamide
CID 81070117

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-[2-(carbamoylamino)ethyl]pentanamide?
The IUPAC name of 3-(aminomethyl)-N-[2-(carbamoylamino)ethyl]pentanamide (CID 83110778) is 3-(aminomethyl)-N-[2-(carbamoylamino)ethyl]pentanamide.
What is the SMILES notation for 3-(aminomethyl)-N-[2-(carbamoylamino)ethyl]pentanamide?
The canonical SMILES for 3-(aminomethyl)-N-[2-(carbamoylamino)ethyl]pentanamide is CCC(CN)CC(=O)NCCNC(N)=O.
What is the InChIKey of 3-(aminomethyl)-N-[2-(carbamoylamino)ethyl]pentanamide?
The InChIKey is XHZKHXSQFJKXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4O2/c1-2-7(6-10)5-8(14)12-3-4-13-9(11)15/h7H,2-6,10H2,1H3,(H,12,14)(H3,11,13,15).
What are the key properties of 3-(aminomethyl)-N-[2-(carbamoylamino)ethyl]pentanamide?
3-(aminomethyl)-N-[2-(carbamoylamino)ethyl]pentanamide has a molecular weight of 216.28 g/mol, XLogP of -0.85, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-[2-(carbamoylamino)ethyl]pentanamide is sourced from PubChem (CID 83110778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).