(3-hydroxy-4-propoxy-2-pyridinyl) N-(2-aminoacetyl)carbamate

C11H15N3O5 — CID 22363701

IUPAC(3-hydroxy-4-propoxy-2-pyridinyl) N-(2-aminoacetyl)carbamate
SMILESCCCOc1ccnc(OC(=O)NC(=O)CN)c1O
InChIInChI=1S/C11H15N3O5/c1-2-5-18-7-3-4-13-10(9(7)16)19-11(17)14-8(15)6-12/h3-4,16H,2,5-6,12H2,1H3,(H,14,15,17)
InChIKeyNCLUVPWJEFNEPO-UHFFFAOYSA-N
MW269.26 g/mol
LogP0.15
Rot. Bonds5

About (3-hydroxy-4-propoxy-2-pyridinyl) N-(2-aminoacetyl)carbamate

(3-hydroxy-4-propoxy-2-pyridinyl) N-(2-aminoacetyl)carbamate (PubChem CID 22363701) has the molecular formula C11H15N3O5 and a molecular weight of 269.26 g/mol. Its IUPAC name is (3-hydroxy-4-propoxy-2-pyridinyl) N-(2-aminoacetyl)carbamate.

Molecular Properties

Compound Name(3-hydroxy-4-propoxy-2-pyridinyl) N-(2-aminoacetyl)carbamate
PubChem CID22363701
Molecular FormulaC11H15N3O5
Molecular Weight269.26 g/mol
Exact Mass269.10
IUPAC Name(3-hydroxy-4-propoxy-2-pyridinyl) N-(2-aminoacetyl)carbamate
SMILESCCCOc1ccnc(OC(=O)NC(=O)CN)c1O
InChIInChI=1S/C11H15N3O5/c1-2-5-18-7-3-4-13-10(9(7)16)19-11(17)14-8(15)6-12/h3-4,16H,2,5-6,12H2,1H3,(H,14,15,17)
InChIKeyNCLUVPWJEFNEPO-UHFFFAOYSA-N
XLogP0.15
TPSA123.77 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

(4-hexoxy-3-hydroxy-2-pyridinyl) N-(2-aminoacetyl)carbamate
CID 22363708
(4-butoxy-3-methoxy-2-pyridinyl) N-(2-aminoacetyl)carbamate
CID 67690651
(3-hydroxy-4-propan-2-yloxy-2-pyridinyl) N-[(2R)-2-aminopropanoyl]carbamate
CID 67689351
N-[(2S)-2-amino-3-phenylpropanoyl]-3-hydroxy-4-propoxypyridine-2-carboxamide
CID 54526296
N-(2-aminoacetyl)-3-hydroxy-4-propan-2-yloxypyridine-2-carboxamide
CID 54225142
N-(2-aminoacetyl)-3-hydroxy-4-[[4-(trifluoromethyl)phenyl]methoxy]pyridine-2-carboxamide
CID 54425094
methyl 4-[(2-aminoacetyl)amino]-3-propoxybenzoate
CID 82350124
(2-hydroxy-3,4-dipropoxyphenyl) hydrogen carbonate
CID 69498730
1-[5-amino-2-[(3-propoxy-2-pyridinyl)oxy]phenyl]ethanone
CID 116541551
2,2,2-trifluoroethyl N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]carbamate
CID 166187966
3-chloro-2-(4-propoxyphenoxy)pyridine-4-carboxylic acid
CID 107063396
3-amino-N-(2-propoxyphenyl)propanamide;hydrochloride
CID 119268305

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-4-propoxy-2-pyridinyl) N-(2-aminoacetyl)carbamate?
The IUPAC name of (3-hydroxy-4-propoxy-2-pyridinyl) N-(2-aminoacetyl)carbamate (CID 22363701) is (3-hydroxy-4-propoxy-2-pyridinyl) N-(2-aminoacetyl)carbamate.
What is the SMILES notation for (3-hydroxy-4-propoxy-2-pyridinyl) N-(2-aminoacetyl)carbamate?
The canonical SMILES for (3-hydroxy-4-propoxy-2-pyridinyl) N-(2-aminoacetyl)carbamate is CCCOc1ccnc(OC(=O)NC(=O)CN)c1O.
What is the InChIKey of (3-hydroxy-4-propoxy-2-pyridinyl) N-(2-aminoacetyl)carbamate?
The InChIKey is NCLUVPWJEFNEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5/c1-2-5-18-7-3-4-13-10(9(7)16)19-11(17)14-8(15)6-12/h3-4,16H,2,5-6,12H2,1H3,(H,14,15,17).
What are the key properties of (3-hydroxy-4-propoxy-2-pyridinyl) N-(2-aminoacetyl)carbamate?
(3-hydroxy-4-propoxy-2-pyridinyl) N-(2-aminoacetyl)carbamate has a molecular weight of 269.26 g/mol, XLogP of 0.15, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-4-propoxy-2-pyridinyl) N-(2-aminoacetyl)carbamate is sourced from PubChem (CID 22363701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).