4-amino-N-[2-(carbamoylamino)ethyl]oxane-4-carboxamide

C9H18N4O3 — CID 115556917

IUPAC4-amino-N-[2-(carbamoylamino)ethyl]oxane-4-carboxamide
SMILESNC(=O)NCCNC(=O)C1(N)CCOCC1
InChIInChI=1S/C9H18N4O3/c10-8(15)13-4-3-12-7(14)9(11)1-5-16-6-2-9/h1-6,11H2,(H,12,14)(H3,10,13,15)
InChIKeyGPVCBNVWOFWMMF-UHFFFAOYSA-N
MW230.27 g/mol
LogP-1.72
Rot. Bonds4

About 4-amino-N-[2-(carbamoylamino)ethyl]oxane-4-carboxamide

4-amino-N-[2-(carbamoylamino)ethyl]oxane-4-carboxamide (PubChem CID 115556917) has the molecular formula C9H18N4O3 and a molecular weight of 230.27 g/mol. Its IUPAC name is 4-amino-N-[2-(carbamoylamino)ethyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-(carbamoylamino)ethyl]oxane-4-carboxamide
PubChem CID115556917
Molecular FormulaC9H18N4O3
Molecular Weight230.27 g/mol
Exact Mass230.14
IUPAC Name4-amino-N-[2-(carbamoylamino)ethyl]oxane-4-carboxamide
SMILESNC(=O)NCCNC(=O)C1(N)CCOCC1
InChIInChI=1S/C9H18N4O3/c10-8(15)13-4-3-12-7(14)9(11)1-5-16-6-2-9/h1-6,11H2,(H,12,14)(H3,10,13,15)
InChIKeyGPVCBNVWOFWMMF-UHFFFAOYSA-N
XLogP-1.72
TPSA119.47 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 5-1.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(2-aminoethyl)oxane-4-carboxamide
CID 115294627
4-amino-N-(2-hydroxyethyl)oxane-4-carboxamide
CID 115293654
4-carbamothioyl-N-[2-(carbamoylamino)ethyl]oxane-4-carboxamide
CID 83120652
4-amino-N-butyloxane-4-carboxamide
CID 115293500
4-amino-N-but-3-ynyloxane-4-carboxamide
CID 115294969
7-[(4-aminooxane-4-carbonyl)amino]heptanoic acid
CID 115294507
4-[(4-aminooxane-4-carbonyl)amino]-2,2-dimethylbutanoic acid
CID 114285703
4-amino-N-hex-5-ynyloxane-4-carboxamide
CID 103950464
4-amino-N-prop-2-enyloxane-4-carboxamide
CID 115293592
4-amino-N-[3-oxo-3-(propan-2-ylamino)propyl]oxane-4-carboxamide
CID 112704033
4-amino-N-[2-(ethylsulfamoyl)ethyl]oxane-4-carboxamide
CID 103845768
5-[(4-aminooxane-4-carbonyl)amino]-2-methylpentanoic acid
CID 112547775

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(carbamoylamino)ethyl]oxane-4-carboxamide?
The IUPAC name of 4-amino-N-[2-(carbamoylamino)ethyl]oxane-4-carboxamide (CID 115556917) is 4-amino-N-[2-(carbamoylamino)ethyl]oxane-4-carboxamide.
What is the SMILES notation for 4-amino-N-[2-(carbamoylamino)ethyl]oxane-4-carboxamide?
The canonical SMILES for 4-amino-N-[2-(carbamoylamino)ethyl]oxane-4-carboxamide is NC(=O)NCCNC(=O)C1(N)CCOCC1.
What is the InChIKey of 4-amino-N-[2-(carbamoylamino)ethyl]oxane-4-carboxamide?
The InChIKey is GPVCBNVWOFWMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O3/c10-8(15)13-4-3-12-7(14)9(11)1-5-16-6-2-9/h1-6,11H2,(H,12,14)(H3,10,13,15).
What are the key properties of 4-amino-N-[2-(carbamoylamino)ethyl]oxane-4-carboxamide?
4-amino-N-[2-(carbamoylamino)ethyl]oxane-4-carboxamide has a molecular weight of 230.27 g/mol, XLogP of -1.72, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(carbamoylamino)ethyl]oxane-4-carboxamide is sourced from PubChem (CID 115556917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).