3-(3,4-dihydro-2H-pyran-2-ylmethylcarbamoylamino)propanoic acid

C10H16N2O4 — CID 122010998

IUPAC3-(3,4-dihydro-2H-pyran-2-ylmethylcarbamoylamino)propanoic acid
SMILESO=C(O)CCNC(=O)NCC1CCC=CO1
InChIInChI=1S/C10H16N2O4/c13-9(14)4-5-11-10(15)12-7-8-3-1-2-6-16-8/h2,6,8H,1,3-5,7H2,(H,13,14)(H2,11,12,15)
InChIKeyRHTBZUVMHGXMAN-UHFFFAOYSA-N
MW228.25 g/mol
LogP0.45
Rot. Bonds5

About 3-(3,4-dihydro-2H-pyran-2-ylmethylcarbamoylamino)propanoic acid

3-(3,4-dihydro-2H-pyran-2-ylmethylcarbamoylamino)propanoic acid (PubChem CID 122010998) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-pyran-2-ylmethylcarbamoylamino)propanoic acid.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-pyran-2-ylmethylcarbamoylamino)propanoic acid
PubChem CID122010998
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Name3-(3,4-dihydro-2H-pyran-2-ylmethylcarbamoylamino)propanoic acid
SMILESO=C(O)CCNC(=O)NCC1CCC=CO1
InChIInChI=1S/C10H16N2O4/c13-9(14)4-5-11-10(15)12-7-8-3-1-2-6-16-8/h2,6,8H,1,3-5,7H2,(H,13,14)(H2,11,12,15)
InChIKeyRHTBZUVMHGXMAN-UHFFFAOYSA-N
XLogP0.45
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-(3,4-dihydro-2H-pyran-2-ylmethylcarbamoylamino)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-methylpropanamide
CID 130964270
methyl 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)propanoate
CID 62065434
3-[(8-methyl-1,4-dioxaspiro[4.5]decan-3-yl)methylcarbamoylamino]propanoic acid
CID 122009247
1-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-ethylthiourea
CID 130621427
2-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methoxy]acetic acid
CID 129384941
4-(oxolan-2-ylmethylcarbamoylamino)butanoic acid
CID 61191606
3-(thiolan-3-ylmethylcarbamoylamino)propanoic acid
CID 107297506
3-(pyrrolidin-3-ylmethylcarbamoylamino)propanoic acid
CID 117234624
3-[(1,1-dioxothiolan-3-yl)methylcarbamoylamino]propanoic acid
CID 62131103
3-[[(1S,3R)-3-(hydroxymethyl)cyclohexyl]methylcarbamoylamino]propanoic acid
CID 122018096
3-(2-bicyclo[2.2.1]heptanylmethylcarbamoylamino)propanoic acid
CID 55231648
3-[(1-methylpyrrolidin-2-yl)methylcarbamoylamino]propanoic acid
CID 106021158

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-pyran-2-ylmethylcarbamoylamino)propanoic acid?
The IUPAC name of 3-(3,4-dihydro-2H-pyran-2-ylmethylcarbamoylamino)propanoic acid (CID 122010998) is 3-(3,4-dihydro-2H-pyran-2-ylmethylcarbamoylamino)propanoic acid.
What is the SMILES notation for 3-(3,4-dihydro-2H-pyran-2-ylmethylcarbamoylamino)propanoic acid?
The canonical SMILES for 3-(3,4-dihydro-2H-pyran-2-ylmethylcarbamoylamino)propanoic acid is O=C(O)CCNC(=O)NCC1CCC=CO1.
What is the InChIKey of 3-(3,4-dihydro-2H-pyran-2-ylmethylcarbamoylamino)propanoic acid?
The InChIKey is RHTBZUVMHGXMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c13-9(14)4-5-11-10(15)12-7-8-3-1-2-6-16-8/h2,6,8H,1,3-5,7H2,(H,13,14)(H2,11,12,15).
What are the key properties of 3-(3,4-dihydro-2H-pyran-2-ylmethylcarbamoylamino)propanoic acid?
3-(3,4-dihydro-2H-pyran-2-ylmethylcarbamoylamino)propanoic acid has a molecular weight of 228.25 g/mol, XLogP of 0.45, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-pyran-2-ylmethylcarbamoylamino)propanoic acid is sourced from PubChem (CID 122010998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).