4-(2-pyrrolidin-1-ylpropylcarbamoylamino)oxane-4-carboxylic acid

C14H25N3O4 — CID 115293317

IUPAC4-(2-pyrrolidin-1-ylpropylcarbamoylamino)oxane-4-carboxylic acid
SMILESCC(CNC(=O)NC1(C(=O)O)CCOCC1)N1CCCC1
InChIInChI=1S/C14H25N3O4/c1-11(17-6-2-3-7-17)10-15-13(20)16-14(12(18)19)4-8-21-9-5-14/h11H,2-10H2,1H3,(H,18,19)(H2,15,16,20)
InChIKeyYASDTMXALZSRCR-UHFFFAOYSA-N
MW299.37 g/mol
LogP0.40
Rot. Bonds5

About 4-(2-pyrrolidin-1-ylpropylcarbamoylamino)oxane-4-carboxylic acid

4-(2-pyrrolidin-1-ylpropylcarbamoylamino)oxane-4-carboxylic acid (PubChem CID 115293317) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is 4-(2-pyrrolidin-1-ylpropylcarbamoylamino)oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-(2-pyrrolidin-1-ylpropylcarbamoylamino)oxane-4-carboxylic acid
PubChem CID115293317
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Name4-(2-pyrrolidin-1-ylpropylcarbamoylamino)oxane-4-carboxylic acid
SMILESCC(CNC(=O)NC1(C(=O)O)CCOCC1)N1CCCC1
InChIInChI=1S/C14H25N3O4/c1-11(17-6-2-3-7-17)10-15-13(20)16-14(12(18)19)4-8-21-9-5-14/h11H,2-10H2,1H3,(H,18,19)(H2,15,16,20)
InChIKeyYASDTMXALZSRCR-UHFFFAOYSA-N
XLogP0.40
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(dimethylamino)propylcarbamoylamino]oxane-4-carboxylic acid
CID 115293093
4-(2-propan-2-yloxyethylcarbamoylamino)oxane-4-carboxylic acid
CID 104763802
4-[[2-(methylamino)-2-oxoethyl]carbamoylamino]oxane-4-carboxylic acid
CID 113280419
3-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]oxolane-3-carboxylic acid
CID 64894113
4-(cyclopentylmethylcarbamoylamino)oxane-4-carboxylic acid
CID 115292855
4-(pent-4-yn-2-ylcarbamoylamino)oxane-4-carboxylic acid
CID 113478039
1-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]cyclopropane-1-carboxylic acid
CID 102907182
4-(4-methylpent-1-yn-3-ylcarbamoylamino)oxane-4-carboxylic acid
CID 114202687
1-[(2S)-2-morpholin-4-ylpropyl]-3-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]urea
CID 95352106
1-[(2R)-2-morpholin-4-ylpropyl]-3-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]urea
CID 95352105
1-(2-methylbutylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 62103455
4-(1-methoxypropan-2-ylcarbamoylamino)oxane-4-carboxylic acid
CID 113280404

Frequently Asked Questions

What is the IUPAC name of 4-(2-pyrrolidin-1-ylpropylcarbamoylamino)oxane-4-carboxylic acid?
The IUPAC name of 4-(2-pyrrolidin-1-ylpropylcarbamoylamino)oxane-4-carboxylic acid (CID 115293317) is 4-(2-pyrrolidin-1-ylpropylcarbamoylamino)oxane-4-carboxylic acid.
What is the SMILES notation for 4-(2-pyrrolidin-1-ylpropylcarbamoylamino)oxane-4-carboxylic acid?
The canonical SMILES for 4-(2-pyrrolidin-1-ylpropylcarbamoylamino)oxane-4-carboxylic acid is CC(CNC(=O)NC1(C(=O)O)CCOCC1)N1CCCC1.
What is the InChIKey of 4-(2-pyrrolidin-1-ylpropylcarbamoylamino)oxane-4-carboxylic acid?
The InChIKey is YASDTMXALZSRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-11(17-6-2-3-7-17)10-15-13(20)16-14(12(18)19)4-8-21-9-5-14/h11H,2-10H2,1H3,(H,18,19)(H2,15,16,20).
What are the key properties of 4-(2-pyrrolidin-1-ylpropylcarbamoylamino)oxane-4-carboxylic acid?
4-(2-pyrrolidin-1-ylpropylcarbamoylamino)oxane-4-carboxylic acid has a molecular weight of 299.37 g/mol, XLogP of 0.40, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-pyrrolidin-1-ylpropylcarbamoylamino)oxane-4-carboxylic acid is sourced from PubChem (CID 115293317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).