[6-[(3R)-3-(hydroxymethyl)morpholine-4-carbonyl]-3-pyridinyl]carbamic acid

C12H15N3O5 — CID 175372414

IUPAC[6-[(3R)-3-(hydroxymethyl)morpholine-4-carbonyl]-3-pyridinyl]carbamic acid
SMILESO=C(O)Nc1ccc(C(=O)N2CCOC[C@H]2CO)nc1
InChIInChI=1S/C12H15N3O5/c16-6-9-7-20-4-3-15(9)11(17)10-2-1-8(5-13-10)14-12(18)19/h1-2,5,9,14,16H,3-4,6-7H2,(H,18,19)/t9-/m1/s1
InChIKeyRBBKOAFFRYDVJV-SECBINFHSA-N
MW281.27 g/mol
LogP0.00
Rot. Bonds3

About [6-[(3R)-3-(hydroxymethyl)morpholine-4-carbonyl]-3-pyridinyl]carbamic acid

[6-[(3R)-3-(hydroxymethyl)morpholine-4-carbonyl]-3-pyridinyl]carbamic acid (PubChem CID 175372414) has the molecular formula C12H15N3O5 and a molecular weight of 281.27 g/mol. Its IUPAC name is [6-[(3R)-3-(hydroxymethyl)morpholine-4-carbonyl]-3-pyridinyl]carbamic acid.

Molecular Properties

Compound Name[6-[(3R)-3-(hydroxymethyl)morpholine-4-carbonyl]-3-pyridinyl]carbamic acid
PubChem CID175372414
Molecular FormulaC12H15N3O5
Molecular Weight281.27 g/mol
Exact Mass281.10
IUPAC Name[6-[(3R)-3-(hydroxymethyl)morpholine-4-carbonyl]-3-pyridinyl]carbamic acid
SMILESO=C(O)Nc1ccc(C(=O)N2CCOC[C@H]2CO)nc1
InChIInChI=1S/C12H15N3O5/c16-6-9-7-20-4-3-15(9)11(17)10-2-1-8(5-13-10)14-12(18)19/h1-2,5,9,14,16H,3-4,6-7H2,(H,18,19)/t9-/m1/s1
InChIKeyRBBKOAFFRYDVJV-SECBINFHSA-N
XLogP0.00
TPSA111.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 50.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(5-chloropyrazin-2-yl)-[3-(hydroxymethyl)morpholin-4-yl]methanone
CID 107372202
[3-(hydroxymethyl)morpholin-4-yl]-[5-(propylamino)pyrazin-2-yl]methanone
CID 107377022
[(3R)-3-(hydroxymethyl)morpholin-4-yl]-phenylmethanone;hydrochloride
CID 118953500
(3-ethylmorpholin-4-yl)-[5-(3-hydroxyprop-1-ynyl)-2-pyridinyl]methanone
CID 62960406
2-[2-[3-(hydroxymethyl)morpholine-4-carbonyl]phenyl]acetic acid
CID 166772200
(2-fluorophenyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone
CID 69058576
(2-chloro-4-methylphenyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone
CID 106861970
(2-chloro-4-fluorophenyl)-[(3R)-3-(hydroxymethyl)morpholin-4-yl]methanone
CID 97040195
2-ethoxy-6-[(3R)-3-(hydroxymethyl)morpholine-4-carbonyl]benzaldehyde
CID 146464591
[2-(hydroxymethyl)piperidin-1-yl]-[5-(propylamino)-2-pyridinyl]methanone
CID 104640890
[(2R,3S)-3-[[6-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]butan-2-yl] N-[6-[3-(hydroxymethyl)morpholine-4-carbonyl]-3-pyridinyl]carbamate
CID 139523069
[5-chloro-2-(ethylamino)-4-pyridinyl]-[3-(hydroxymethyl)morpholin-4-yl]methanone
CID 114924753

Frequently Asked Questions

What is the IUPAC name of [6-[(3R)-3-(hydroxymethyl)morpholine-4-carbonyl]-3-pyridinyl]carbamic acid?
The IUPAC name of [6-[(3R)-3-(hydroxymethyl)morpholine-4-carbonyl]-3-pyridinyl]carbamic acid (CID 175372414) is [6-[(3R)-3-(hydroxymethyl)morpholine-4-carbonyl]-3-pyridinyl]carbamic acid.
What is the SMILES notation for [6-[(3R)-3-(hydroxymethyl)morpholine-4-carbonyl]-3-pyridinyl]carbamic acid?
The canonical SMILES for [6-[(3R)-3-(hydroxymethyl)morpholine-4-carbonyl]-3-pyridinyl]carbamic acid is O=C(O)Nc1ccc(C(=O)N2CCOC[C@H]2CO)nc1.
What is the InChIKey of [6-[(3R)-3-(hydroxymethyl)morpholine-4-carbonyl]-3-pyridinyl]carbamic acid?
The InChIKey is RBBKOAFFRYDVJV-SECBINFHSA-N. The full InChI is InChI=1S/C12H15N3O5/c16-6-9-7-20-4-3-15(9)11(17)10-2-1-8(5-13-10)14-12(18)19/h1-2,5,9,14,16H,3-4,6-7H2,(H,18,19)/t9-/m1/s1.
What are the key properties of [6-[(3R)-3-(hydroxymethyl)morpholine-4-carbonyl]-3-pyridinyl]carbamic acid?
[6-[(3R)-3-(hydroxymethyl)morpholine-4-carbonyl]-3-pyridinyl]carbamic acid has a molecular weight of 281.27 g/mol, XLogP of 0.00, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(3R)-3-(hydroxymethyl)morpholine-4-carbonyl]-3-pyridinyl]carbamic acid is sourced from PubChem (CID 175372414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).