amino-[4-(morpholin-4-ylmethyl)phenyl]carbamic acid

C12H17N3O3 — CID 175714348

IUPACamino-[4-(morpholin-4-ylmethyl)phenyl]carbamic acid
SMILESNN(C(=O)O)c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C12H17N3O3/c13-15(12(16)17)11-3-1-10(2-4-11)9-14-5-7-18-8-6-14/h1-4H,5-9,13H2,(H,16,17)
InChIKeyYETHCLAVPGGTQA-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.88
Rot. Bonds3

About amino-[4-(morpholin-4-ylmethyl)phenyl]carbamic acid

amino-[4-(morpholin-4-ylmethyl)phenyl]carbamic acid (PubChem CID 175714348) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is amino-[4-(morpholin-4-ylmethyl)phenyl]carbamic acid.

Molecular Properties

Compound Nameamino-[4-(morpholin-4-ylmethyl)phenyl]carbamic acid
PubChem CID175714348
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Nameamino-[4-(morpholin-4-ylmethyl)phenyl]carbamic acid
SMILESNN(C(=O)O)c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C12H17N3O3/c13-15(12(16)17)11-3-1-10(2-4-11)9-14-5-7-18-8-6-14/h1-4H,5-9,13H2,(H,16,17)
InChIKeyYETHCLAVPGGTQA-UHFFFAOYSA-N
XLogP0.88
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

CID 59303659
CID 59303659
[4-(morpholin-4-ylmethyl)phenyl] carbamate
CID 175493722
N,N-dimethyl-4-(morpholin-4-ylmethyl)benzamide
CID 43918660
amino-[6-(morpholin-4-ylmethyl)-2-pyridinyl]carbamic acid
CID 174630736
methyl 2-[N-methyl-4-(morpholin-4-ylmethyl)anilino]acetate
CID 82538034
2-[4-(morpholin-4-ylmethyl)phenyl]propanoic acid
CID 105345603
(4-chlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methanone
CID 24724233
2-[4-(morpholin-4-ylmethyl)phenoxy]acetic acid;hydrochloride
CID 46736007
2-amino-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 60672694
methyl 4-(morpholin-4-ylmethyl)benzoate
CID 10466592
4-[4-(morpholin-4-ylmethyl)benzoyl]benzonitrile
CID 24724224
2-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethyl]phenyl]acetohydrazide;dihydrochloride
CID 67030384

Frequently Asked Questions

What is the IUPAC name of amino-[4-(morpholin-4-ylmethyl)phenyl]carbamic acid?
The IUPAC name of amino-[4-(morpholin-4-ylmethyl)phenyl]carbamic acid (CID 175714348) is amino-[4-(morpholin-4-ylmethyl)phenyl]carbamic acid.
What is the SMILES notation for amino-[4-(morpholin-4-ylmethyl)phenyl]carbamic acid?
The canonical SMILES for amino-[4-(morpholin-4-ylmethyl)phenyl]carbamic acid is NN(C(=O)O)c1ccc(CN2CCOCC2)cc1.
What is the InChIKey of amino-[4-(morpholin-4-ylmethyl)phenyl]carbamic acid?
The InChIKey is YETHCLAVPGGTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c13-15(12(16)17)11-3-1-10(2-4-11)9-14-5-7-18-8-6-14/h1-4H,5-9,13H2,(H,16,17).
What are the key properties of amino-[4-(morpholin-4-ylmethyl)phenyl]carbamic acid?
amino-[4-(morpholin-4-ylmethyl)phenyl]carbamic acid has a molecular weight of 251.29 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for amino-[4-(morpholin-4-ylmethyl)phenyl]carbamic acid is sourced from PubChem (CID 175714348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).