(3S)-4-[2-(cyclopropylmethoxy)acetyl]morpholine-3-carboxylic acid

C11H17NO5 — CID 125151644

IUPAC(3S)-4-[2-(cyclopropylmethoxy)acetyl]morpholine-3-carboxylic acid
SMILESO=C(O)[C@@H]1COCCN1C(=O)COCC1CC1
InChIInChI=1S/C11H17NO5/c13-10(7-17-5-8-1-2-8)12-3-4-16-6-9(12)11(14)15/h8-9H,1-7H2,(H,14,15)/t9-/m0/s1
InChIKeyKKNZAKWGKVWYRB-VIFPVBQESA-N
MW243.26 g/mol
LogP-0.28
Rot. Bonds5

About (3S)-4-[2-(cyclopropylmethoxy)acetyl]morpholine-3-carboxylic acid

(3S)-4-[2-(cyclopropylmethoxy)acetyl]morpholine-3-carboxylic acid (PubChem CID 125151644) has the molecular formula C11H17NO5 and a molecular weight of 243.26 g/mol. Its IUPAC name is (3S)-4-[2-(cyclopropylmethoxy)acetyl]morpholine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-4-[2-(cyclopropylmethoxy)acetyl]morpholine-3-carboxylic acid
PubChem CID125151644
Molecular FormulaC11H17NO5
Molecular Weight243.26 g/mol
Exact Mass243.11
IUPAC Name(3S)-4-[2-(cyclopropylmethoxy)acetyl]morpholine-3-carboxylic acid
SMILESO=C(O)[C@@H]1COCCN1C(=O)COCC1CC1
InChIInChI=1S/C11H17NO5/c13-10(7-17-5-8-1-2-8)12-3-4-16-6-9(12)11(14)15/h8-9H,1-7H2,(H,14,15)/t9-/m0/s1
InChIKeyKKNZAKWGKVWYRB-VIFPVBQESA-N
XLogP-0.28
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-4-[2-[[(2S)-oxolan-2-yl]methoxy]acetyl]morpholine-3-carboxylic acid
CID 125152966
4-(2-propan-2-yloxyacetyl)morpholine-3-carboxylic acid
CID 112555118
4-[2-(4-tert-butylcyclohexyl)acetyl]morpholine-3-carboxylic acid
CID 120521645
(3R)-4-[2-[(2R)-oxolan-2-yl]acetyl]morpholine-3-carboxylic acid
CID 124513583
4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]morpholine-3-carboxylic acid
CID 79615257
(3S)-4-[3-[(2R)-oxolan-2-yl]propanoyl]morpholine-3-carboxylic acid
CID 124513489
2-(cyclopropylmethoxy)-1-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone
CID 127772425
(3R)-4-[2-(4-chlorophenoxy)acetyl]morpholine-3-carboxylic acid
CID 124513443
4-[3-(methoxymethyl)piperidine-1-carbonyl]morpholine-3-carboxylic acid
CID 106588001
(3S)-4-[3-[(2R,5R)-5-methyloxolan-2-yl]propanoyl]morpholine-3-carboxylic acid
CID 125153948
(3S)-4-[3-[(2S,5R)-5-methyloxolan-2-yl]propanoyl]morpholine-3-carboxylic acid
CID 125153950
4-(2-cyclopentylsulfonylacetyl)morpholine-3-carboxylic acid
CID 119216843

Frequently Asked Questions

What is the IUPAC name of (3S)-4-[2-(cyclopropylmethoxy)acetyl]morpholine-3-carboxylic acid?
The IUPAC name of (3S)-4-[2-(cyclopropylmethoxy)acetyl]morpholine-3-carboxylic acid (CID 125151644) is (3S)-4-[2-(cyclopropylmethoxy)acetyl]morpholine-3-carboxylic acid.
What is the SMILES notation for (3S)-4-[2-(cyclopropylmethoxy)acetyl]morpholine-3-carboxylic acid?
The canonical SMILES for (3S)-4-[2-(cyclopropylmethoxy)acetyl]morpholine-3-carboxylic acid is O=C(O)[C@@H]1COCCN1C(=O)COCC1CC1.
What is the InChIKey of (3S)-4-[2-(cyclopropylmethoxy)acetyl]morpholine-3-carboxylic acid?
The InChIKey is KKNZAKWGKVWYRB-VIFPVBQESA-N. The full InChI is InChI=1S/C11H17NO5/c13-10(7-17-5-8-1-2-8)12-3-4-16-6-9(12)11(14)15/h8-9H,1-7H2,(H,14,15)/t9-/m0/s1.
What are the key properties of (3S)-4-[2-(cyclopropylmethoxy)acetyl]morpholine-3-carboxylic acid?
(3S)-4-[2-(cyclopropylmethoxy)acetyl]morpholine-3-carboxylic acid has a molecular weight of 243.26 g/mol, XLogP of -0.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-[2-(cyclopropylmethoxy)acetyl]morpholine-3-carboxylic acid is sourced from PubChem (CID 125151644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).