(2R)-2-[[5-(aminomethyl)oxolane-2-carbonyl]amino]pentanoic acid

C11H20N2O4 — CID 107564932

IUPAC(2R)-2-[[5-(aminomethyl)oxolane-2-carbonyl]amino]pentanoic acid
SMILESCCC[C@@H](NC(=O)C1CCC(CN)O1)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-2-3-8(11(15)16)13-10(14)9-5-4-7(6-12)17-9/h7-9H,2-6,12H2,1H3,(H,13,14)(H,15,16)/t7?,8-,9?/m1/s1
InChIKeyYIRKDEQRAMOZBB-QJAFJHJLSA-N
MW244.29 g/mol
LogP-0.14
Rot. Bonds6

About (2R)-2-[[5-(aminomethyl)oxolane-2-carbonyl]amino]pentanoic acid

(2R)-2-[[5-(aminomethyl)oxolane-2-carbonyl]amino]pentanoic acid (PubChem CID 107564932) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is (2R)-2-[[5-(aminomethyl)oxolane-2-carbonyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-2-[[5-(aminomethyl)oxolane-2-carbonyl]amino]pentanoic acid
PubChem CID107564932
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name(2R)-2-[[5-(aminomethyl)oxolane-2-carbonyl]amino]pentanoic acid
SMILESCCC[C@@H](NC(=O)C1CCC(CN)O1)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-2-3-8(11(15)16)13-10(14)9-5-4-7(6-12)17-9/h7-9H,2-6,12H2,1H3,(H,13,14)(H,15,16)/t7?,8-,9?/m1/s1
InChIKeyYIRKDEQRAMOZBB-QJAFJHJLSA-N
XLogP-0.14
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3R)-2-[[5-(aminomethyl)oxolane-2-carbonyl]amino]-3-hydroxybutanoic acid
CID 104965374
(2S)-2-[(5-ethyloxolane-2-carbonyl)amino]-4-methylpentanoic acid
CID 119361049
(2S,5R)-5-(aminomethyl)-N-(dicyclopropylmethyl)oxolane-2-carboxamide;hydrochloride
CID 120785367
5-(aminomethyl)-N-but-3-yn-2-yloxolane-2-carboxamide
CID 114417274
(2S,5R)-5-(aminomethyl)-N-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopentan-2-yl]oxolane-2-carboxamide;hydrochloride
CID 120791303
(2S,5R)-5-(aminomethyl)-N-(1-cyclopentylethyl)oxolane-2-carboxamide;hydrochloride
CID 120792979
ethyl 2-[[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]amino]-3-(3,5-dichlorophenyl)propanoate
CID 120796602
(2S,5R)-5-(aminomethyl)-N-(3-phenylbutan-2-yl)oxolane-2-carboxamide;hydrochloride
CID 120793755
(2S,5R)-5-(aminomethyl)-N-[1-(4-methoxyphenyl)pentyl]oxolane-2-carboxamide
CID 120792152
(2S,5R)-5-(aminomethyl)-N-(1-piperidin-1-ylpropan-2-yl)oxolane-2-carboxamide
CID 120798240
(2S,5R)-5-(aminomethyl)-N-(2-propylcyclopropyl)oxolane-2-carboxamide
CID 120796188
5-(aminomethyl)-N-(5-methylhexyl)oxolane-2-carboxamide
CID 115325352

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[5-(aminomethyl)oxolane-2-carbonyl]amino]pentanoic acid?
The IUPAC name of (2R)-2-[[5-(aminomethyl)oxolane-2-carbonyl]amino]pentanoic acid (CID 107564932) is (2R)-2-[[5-(aminomethyl)oxolane-2-carbonyl]amino]pentanoic acid.
What is the SMILES notation for (2R)-2-[[5-(aminomethyl)oxolane-2-carbonyl]amino]pentanoic acid?
The canonical SMILES for (2R)-2-[[5-(aminomethyl)oxolane-2-carbonyl]amino]pentanoic acid is CCC[C@@H](NC(=O)C1CCC(CN)O1)C(=O)O.
What is the InChIKey of (2R)-2-[[5-(aminomethyl)oxolane-2-carbonyl]amino]pentanoic acid?
The InChIKey is YIRKDEQRAMOZBB-QJAFJHJLSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-2-3-8(11(15)16)13-10(14)9-5-4-7(6-12)17-9/h7-9H,2-6,12H2,1H3,(H,13,14)(H,15,16)/t7?,8-,9?/m1/s1.
What are the key properties of (2R)-2-[[5-(aminomethyl)oxolane-2-carbonyl]amino]pentanoic acid?
(2R)-2-[[5-(aminomethyl)oxolane-2-carbonyl]amino]pentanoic acid has a molecular weight of 244.29 g/mol, XLogP of -0.14, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[5-(aminomethyl)oxolane-2-carbonyl]amino]pentanoic acid is sourced from PubChem (CID 107564932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).