(2R)-3-[cyclopropyl-[(3R)-oxolane-3-carbonyl]amino]-2-methylpropanoic acid

C12H19NO4 — CID 124694297

IUPAC(2R)-3-[cyclopropyl-[(3R)-oxolane-3-carbonyl]amino]-2-methylpropanoic acid
SMILESC[C@H](CN(C(=O)[C@@H]1CCOC1)C1CC1)C(=O)O
InChIInChI=1S/C12H19NO4/c1-8(12(15)16)6-13(10-2-3-10)11(14)9-4-5-17-7-9/h8-10H,2-7H2,1H3,(H,15,16)/t8-,9-/m1/s1
InChIKeyPYWVMMUVWVQWKF-RKDXNWHRSA-N
MW241.29 g/mol
LogP0.73
Rot. Bonds5

About (2R)-3-[cyclopropyl-[(3R)-oxolane-3-carbonyl]amino]-2-methylpropanoic acid

(2R)-3-[cyclopropyl-[(3R)-oxolane-3-carbonyl]amino]-2-methylpropanoic acid (PubChem CID 124694297) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is (2R)-3-[cyclopropyl-[(3R)-oxolane-3-carbonyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name(2R)-3-[cyclopropyl-[(3R)-oxolane-3-carbonyl]amino]-2-methylpropanoic acid
PubChem CID124694297
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Name(2R)-3-[cyclopropyl-[(3R)-oxolane-3-carbonyl]amino]-2-methylpropanoic acid
SMILESC[C@H](CN(C(=O)[C@@H]1CCOC1)C1CC1)C(=O)O
InChIInChI=1S/C12H19NO4/c1-8(12(15)16)6-13(10-2-3-10)11(14)9-4-5-17-7-9/h8-10H,2-7H2,1H3,(H,15,16)/t8-,9-/m1/s1
InChIKeyPYWVMMUVWVQWKF-RKDXNWHRSA-N
XLogP0.73
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[cyclopropyl(thiane-4-carbonyl)amino]-2-methylpropanoic acid
CID 120535285
(2S)-3-[cyclopropyl-[(2S)-oxolane-2-carbonyl]amino]-2-methylpropanoic acid
CID 95539140
3-[cyclopropyl(2-methylpropanoyl)amino]-2-methylpropanoic acid
CID 82323712
N-piperidin-4-yl-N-propyloxolane-3-carboxamide;hydrochloride
CID 119823621
2-[cyclopropyl(oxane-3-carbonyl)amino]acetic acid
CID 62758627
3-[ethyl-[methyl(oxolan-3-yl)carbamoyl]amino]-2-methylpropanoic acid
CID 82748099
3-[cyclopropyl(methyl)amino]-2-methylpropanoic acid
CID 43538764
3-[(5-bromo-2,3-dihydro-1-benzofuran-3-carbonyl)-cyclopropylamino]-2-methylpropanoic acid
CID 120535300
N-propyl-N-pyrrolidin-3-yloxolane-3-carboxamide;hydrochloride
CID 119260577
2-methyl-5-(oxolane-3-carbonylamino)pentanoic acid
CID 104682491
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyloxolane-3-carboxamide
CID 61271461
N-(2-aminoethyl)-N-propan-2-yloxolane-3-carboxamide
CID 61350101

Frequently Asked Questions

What is the IUPAC name of (2R)-3-[cyclopropyl-[(3R)-oxolane-3-carbonyl]amino]-2-methylpropanoic acid?
The IUPAC name of (2R)-3-[cyclopropyl-[(3R)-oxolane-3-carbonyl]amino]-2-methylpropanoic acid (CID 124694297) is (2R)-3-[cyclopropyl-[(3R)-oxolane-3-carbonyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for (2R)-3-[cyclopropyl-[(3R)-oxolane-3-carbonyl]amino]-2-methylpropanoic acid?
The canonical SMILES for (2R)-3-[cyclopropyl-[(3R)-oxolane-3-carbonyl]amino]-2-methylpropanoic acid is C[C@H](CN(C(=O)[C@@H]1CCOC1)C1CC1)C(=O)O.
What is the InChIKey of (2R)-3-[cyclopropyl-[(3R)-oxolane-3-carbonyl]amino]-2-methylpropanoic acid?
The InChIKey is PYWVMMUVWVQWKF-RKDXNWHRSA-N. The full InChI is InChI=1S/C12H19NO4/c1-8(12(15)16)6-13(10-2-3-10)11(14)9-4-5-17-7-9/h8-10H,2-7H2,1H3,(H,15,16)/t8-,9-/m1/s1.
What are the key properties of (2R)-3-[cyclopropyl-[(3R)-oxolane-3-carbonyl]amino]-2-methylpropanoic acid?
(2R)-3-[cyclopropyl-[(3R)-oxolane-3-carbonyl]amino]-2-methylpropanoic acid has a molecular weight of 241.29 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[cyclopropyl-[(3R)-oxolane-3-carbonyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 124694297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).