[(1S)-2-methyl-1-(6-morpholin-4-yl-3-pyridinyl)propyl]carbamic acid

C14H21N3O3 — CID 138676035

IUPAC[(1S)-2-methyl-1-(6-morpholin-4-yl-3-pyridinyl)propyl]carbamic acid
SMILESCC(C)[C@H](NC(=O)O)c1ccc(N2CCOCC2)nc1
InChIInChI=1S/C14H21N3O3/c1-10(2)13(16-14(18)19)11-3-4-12(15-9-11)17-5-7-20-8-6-17/h3-4,9-10,13,16H,5-8H2,1-2H3,(H,18,19)/t13-/m0/s1
InChIKeyGNRCXQGUGYGEDS-ZDUSSCGKSA-N
MW279.34 g/mol
LogP1.88
Rot. Bonds4

About [(1S)-2-methyl-1-(6-morpholin-4-yl-3-pyridinyl)propyl]carbamic acid

[(1S)-2-methyl-1-(6-morpholin-4-yl-3-pyridinyl)propyl]carbamic acid (PubChem CID 138676035) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is [(1S)-2-methyl-1-(6-morpholin-4-yl-3-pyridinyl)propyl]carbamic acid.

Molecular Properties

Compound Name[(1S)-2-methyl-1-(6-morpholin-4-yl-3-pyridinyl)propyl]carbamic acid
PubChem CID138676035
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name[(1S)-2-methyl-1-(6-morpholin-4-yl-3-pyridinyl)propyl]carbamic acid
SMILESCC(C)[C@H](NC(=O)O)c1ccc(N2CCOCC2)nc1
InChIInChI=1S/C14H21N3O3/c1-10(2)13(16-14(18)19)11-3-4-12(15-9-11)17-5-7-20-8-6-17/h3-4,9-10,13,16H,5-8H2,1-2H3,(H,18,19)/t13-/m0/s1
InChIKeyGNRCXQGUGYGEDS-ZDUSSCGKSA-N
XLogP1.88
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-morpholin-4-yl-3-pyridinyl)ethanol
CID 79886021
4-(5-propan-2-yl-2-pyridinyl)morpholine
CID 20750181
1,2-bis(6-morpholin-4-yl-3-pyridinyl)ethane-1,2-diol
CID 118482519
[2-[[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]amino]-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate
CID 16603598
(2S)-2-amino-3-methyl-N-(6-morpholin-4-yl-3-pyridinyl)butanamide
CID 61180630
N-[1-(4-methoxyphenyl)ethyl]-6-morpholin-4-ylpyridine-3-carboxamide
CID 84570773
2-[4-(2-methyl-4-pyridinyl)phenyl]-2-(6-morpholin-4-yl-3-pyridinyl)acetamide
CID 142788629
2-(carbamoylamino)-N-(6-morpholin-4-yl-3-pyridinyl)propanamide
CID 43044639
2-methyl-3-[(6-morpholin-4-yl-3-pyridinyl)methylamino]-3-oxopropanoic acid
CID 114897147
ethane;1-(6-morpholin-4-yl-3-pyridinyl)ethanone
CID 145421407
N-(6-methylheptan-2-yl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 46515997
3-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-phenylpentanamide
CID 17489984

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-methyl-1-(6-morpholin-4-yl-3-pyridinyl)propyl]carbamic acid?
The IUPAC name of [(1S)-2-methyl-1-(6-morpholin-4-yl-3-pyridinyl)propyl]carbamic acid (CID 138676035) is [(1S)-2-methyl-1-(6-morpholin-4-yl-3-pyridinyl)propyl]carbamic acid.
What is the SMILES notation for [(1S)-2-methyl-1-(6-morpholin-4-yl-3-pyridinyl)propyl]carbamic acid?
The canonical SMILES for [(1S)-2-methyl-1-(6-morpholin-4-yl-3-pyridinyl)propyl]carbamic acid is CC(C)[C@H](NC(=O)O)c1ccc(N2CCOCC2)nc1.
What is the InChIKey of [(1S)-2-methyl-1-(6-morpholin-4-yl-3-pyridinyl)propyl]carbamic acid?
The InChIKey is GNRCXQGUGYGEDS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-10(2)13(16-14(18)19)11-3-4-12(15-9-11)17-5-7-20-8-6-17/h3-4,9-10,13,16H,5-8H2,1-2H3,(H,18,19)/t13-/m0/s1.
What are the key properties of [(1S)-2-methyl-1-(6-morpholin-4-yl-3-pyridinyl)propyl]carbamic acid?
[(1S)-2-methyl-1-(6-morpholin-4-yl-3-pyridinyl)propyl]carbamic acid has a molecular weight of 279.34 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-methyl-1-(6-morpholin-4-yl-3-pyridinyl)propyl]carbamic acid is sourced from PubChem (CID 138676035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).