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

C12H19NO5 — CID 125152151

IUPAC(2S)-4-[(2S)-2-(cyclopropylmethoxy)propanoyl]morpholine-2-carboxylic acid
SMILESC[C@H](OCC1CC1)C(=O)N1CCO[C@H](C(=O)O)C1
InChIInChI=1S/C12H19NO5/c1-8(18-7-9-2-3-9)11(14)13-4-5-17-10(6-13)12(15)16/h8-10H,2-7H2,1H3,(H,15,16)/t8-,10-/m0/s1
InChIKeyNFDRZKUHJIQEBT-WPRPVWTQSA-N
MW257.29 g/mol
LogP0.11
Rot. Bonds5

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

(2S)-4-[(2S)-2-(cyclopropylmethoxy)propanoyl]morpholine-2-carboxylic acid (PubChem CID 125152151) has the molecular formula C12H19NO5 and a molecular weight of 257.29 g/mol. Its IUPAC name is (2S)-4-[(2S)-2-(cyclopropylmethoxy)propanoyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-4-[(2S)-2-(cyclopropylmethoxy)propanoyl]morpholine-2-carboxylic acid
PubChem CID125152151
Molecular FormulaC12H19NO5
Molecular Weight257.29 g/mol
Exact Mass257.13
IUPAC Name(2S)-4-[(2S)-2-(cyclopropylmethoxy)propanoyl]morpholine-2-carboxylic acid
SMILESC[C@H](OCC1CC1)C(=O)N1CCO[C@H](C(=O)O)C1
InChIInChI=1S/C12H19NO5/c1-8(18-7-9-2-3-9)11(14)13-4-5-17-10(6-13)12(15)16/h8-10H,2-7H2,1H3,(H,15,16)/t8-,10-/m0/s1
InChIKeyNFDRZKUHJIQEBT-WPRPVWTQSA-N
XLogP0.11
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-4-[(2R)-2-butoxypropanoyl]morpholine-2-carboxylic acid
CID 125150816
(2R)-2-(cyclopropylmethoxy)-1-[(2S)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one
CID 129327146
2-(cyclopropylmethoxy)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propan-1-one
CID 110023213
(3R)-1-[(2S)-2-[[(2S)-oxolan-2-yl]methoxy]propanoyl]pyrrolidine-3-carboxylic acid
CID 129466161
4-(3-amino-2-methoxypropanoyl)morpholine-2-carboxylic acid
CID 106112662
2-[(2S)-4-[(2S)-2-[[(2S)-oxolan-2-yl]methoxy]propanoyl]morpholin-2-yl]acetic acid
CID 125120231
4-[(2S)-2-aminopentanoyl]morpholine-2-carboxylic acid
CID 107569483
(2S)-4-[(2S)-2-cyclohexyloxybutanoyl]morpholine-2-carboxylic acid
CID 125118721
4-(2-cyclopentyloxybutanoyl)morpholine-2-carboxylic acid
CID 119239391
4-[2-(cyclopentylmethyl)pentanoyl]morpholine-2-carboxylic acid
CID 119239386
(3S)-1-[(2S)-2-[[(2S)-oxan-2-yl]methoxy]propanoyl]piperidine-3-carboxylic acid
CID 125118958
4-[methyl(2-propan-2-yloxyethyl)carbamoyl]morpholine-2-carboxylic acid
CID 81061396

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(2S)-2-(cyclopropylmethoxy)propanoyl]morpholine-2-carboxylic acid?
The IUPAC name of (2S)-4-[(2S)-2-(cyclopropylmethoxy)propanoyl]morpholine-2-carboxylic acid (CID 125152151) is (2S)-4-[(2S)-2-(cyclopropylmethoxy)propanoyl]morpholine-2-carboxylic acid.
What is the SMILES notation for (2S)-4-[(2S)-2-(cyclopropylmethoxy)propanoyl]morpholine-2-carboxylic acid?
The canonical SMILES for (2S)-4-[(2S)-2-(cyclopropylmethoxy)propanoyl]morpholine-2-carboxylic acid is C[C@H](OCC1CC1)C(=O)N1CCO[C@H](C(=O)O)C1.
What is the InChIKey of (2S)-4-[(2S)-2-(cyclopropylmethoxy)propanoyl]morpholine-2-carboxylic acid?
The InChIKey is NFDRZKUHJIQEBT-WPRPVWTQSA-N. The full InChI is InChI=1S/C12H19NO5/c1-8(18-7-9-2-3-9)11(14)13-4-5-17-10(6-13)12(15)16/h8-10H,2-7H2,1H3,(H,15,16)/t8-,10-/m0/s1.
What are the key properties of (2S)-4-[(2S)-2-(cyclopropylmethoxy)propanoyl]morpholine-2-carboxylic acid?
(2S)-4-[(2S)-2-(cyclopropylmethoxy)propanoyl]morpholine-2-carboxylic acid has a molecular weight of 257.29 g/mol, XLogP of 0.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[(2S)-2-(cyclopropylmethoxy)propanoyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 125152151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).