1-[[[5-(aminomethyl)oxolane-2-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid

C11H18N2O4 — CID 115450789

IUPAC1-[[[5-(aminomethyl)oxolane-2-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid
SMILESNCC1CCC(C(=O)NCC2(C(=O)O)CC2)O1
InChIInChI=1S/C11H18N2O4/c12-5-7-1-2-8(17-7)9(14)13-6-11(3-4-11)10(15)16/h7-8H,1-6,12H2,(H,13,14)(H,15,16)
InChIKeyFXBPASLUVOJYAA-UHFFFAOYSA-N
MW242.27 g/mol
LogP-0.53
Rot. Bonds5

About 1-[[[5-(aminomethyl)oxolane-2-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid

1-[[[5-(aminomethyl)oxolane-2-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid (PubChem CID 115450789) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is 1-[[[5-(aminomethyl)oxolane-2-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[[5-(aminomethyl)oxolane-2-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid
PubChem CID115450789
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name1-[[[5-(aminomethyl)oxolane-2-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid
SMILESNCC1CCC(C(=O)NCC2(C(=O)O)CC2)O1
InChIInChI=1S/C11H18N2O4/c12-5-7-1-2-8(17-7)9(14)13-6-11(3-4-11)10(15)16/h7-8H,1-6,12H2,(H,13,14)(H,15,16)
InChIKeyFXBPASLUVOJYAA-UHFFFAOYSA-N
XLogP-0.53
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[[[5-(aminomethyl)oxolane-2-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid with MolForge

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Related Compounds

1-[[[5-(aminomethyl)oxolane-2-carbonyl]amino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115442661
(2S,5R)-5-(aminomethyl)-N-[(1-methylcyclobutyl)methyl]oxolane-2-carboxamide
CID 120794770
(2S,5R)-5-(aminomethyl)-N-[(1-methylcyclopentyl)methyl]oxolane-2-carboxamide;hydrochloride
CID 120792797
(2S,5R)-5-(aminomethyl)-N-[(1-propan-2-ylcyclopropyl)methyl]oxolane-2-carboxamide
CID 120794756
5-(aminomethyl)-N-[[1-(dimethylamino)cyclopentyl]methyl]oxolane-2-carboxamide
CID 83110105
(2S,5R)-5-(aminomethyl)-N-[(1-phenylcyclopropyl)methyl]oxolane-2-carboxamide;hydrochloride
CID 120785201
(2S,5R)-5-(aminomethyl)-N-[(2-methylthiolan-2-yl)methyl]oxolane-2-carboxamide;hydrochloride
CID 120795481
(2S,5R)-5-(aminomethyl)-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]oxolane-2-carboxamide
CID 120796422
5-(aminomethyl)-N-(2,2-difluoroethyl)oxolane-2-carboxamide
CID 115406853
(2S,5R)-5-(aminomethyl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]oxolane-2-carboxamide
CID 120794566
(2S,5R)-5-(aminomethyl)-N-(cyclohexylmethyl)oxolane-2-carboxamide
CID 120782860
methyl 2-[[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]amino]acetate
CID 120787676

Frequently Asked Questions

What is the IUPAC name of 1-[[[5-(aminomethyl)oxolane-2-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[[5-(aminomethyl)oxolane-2-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid (CID 115450789) is 1-[[[5-(aminomethyl)oxolane-2-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[[5-(aminomethyl)oxolane-2-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[[5-(aminomethyl)oxolane-2-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid is NCC1CCC(C(=O)NCC2(C(=O)O)CC2)O1.
What is the InChIKey of 1-[[[5-(aminomethyl)oxolane-2-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid?
The InChIKey is FXBPASLUVOJYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c12-5-7-1-2-8(17-7)9(14)13-6-11(3-4-11)10(15)16/h7-8H,1-6,12H2,(H,13,14)(H,15,16).
What are the key properties of 1-[[[5-(aminomethyl)oxolane-2-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid?
1-[[[5-(aminomethyl)oxolane-2-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid has a molecular weight of 242.27 g/mol, XLogP of -0.53, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[5-(aminomethyl)oxolane-2-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 115450789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).