(Z)-2-amino-3-[(3-phenylmethoxycyclobutyl)amino]but-2-enoic acid

C15H20N2O3 — CID 164920377

IUPAC(Z)-2-amino-3-[(3-phenylmethoxycyclobutyl)amino]but-2-enoic acid
SMILESC/C(NC1CC(OCc2ccccc2)C1)=C(/N)C(=O)O
InChIInChI=1S/C15H20N2O3/c1-10(14(16)15(18)19)17-12-7-13(8-12)20-9-11-5-3-2-4-6-11/h2-6,12-13,17H,7-9,16H2,1H3,(H,18,19)/b14-10-
InChIKeyRZJZHHUQSMUMHE-UVTDQMKNSA-N
MW276.34 g/mol
LogP1.60
Rot. Bonds6

About (Z)-2-amino-3-[(3-phenylmethoxycyclobutyl)amino]but-2-enoic acid

(Z)-2-amino-3-[(3-phenylmethoxycyclobutyl)amino]but-2-enoic acid (PubChem CID 164920377) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is (Z)-2-amino-3-[(3-phenylmethoxycyclobutyl)amino]but-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-amino-3-[(3-phenylmethoxycyclobutyl)amino]but-2-enoic acid
PubChem CID164920377
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name(Z)-2-amino-3-[(3-phenylmethoxycyclobutyl)amino]but-2-enoic acid
SMILESC/C(NC1CC(OCc2ccccc2)C1)=C(/N)C(=O)O
InChIInChI=1S/C15H20N2O3/c1-10(14(16)15(18)19)17-12-7-13(8-12)20-9-11-5-3-2-4-6-11/h2-6,12-13,17H,7-9,16H2,1H3,(H,18,19)/b14-10-
InChIKeyRZJZHHUQSMUMHE-UVTDQMKNSA-N
XLogP1.60
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2,2,2-trichloroethyl N-(3-phenylmethoxycyclobutyl)carbamate
CID 168926737
3-phenylmethoxycyclobutane-1-carboxamide
CID 121012391
[3-[(4-bromophenyl)methoxy]cyclobutyl]carbamic acid
CID 118524795
N-(3-phenylmethoxycyclobutyl)pyrimidine-5-carboxamide
CID 91545004
(1S,3R,4R)-4-amino-3-hydroxy-N-(3-phenylmethoxycyclobutyl)cyclohexane-1-carboxamide
CID 155491744
benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
(3-chlorocyclobutyl)oxymethylbenzene
CID 66344030
3-phenylmethoxycyclobutane-1-carboximidamide;hydrochloride
CID 126619101
[(2S,6S)-2,4,6-tris(phenylmethoxy)cyclohexyl] benzoate
CID 102168602
methyl-[3-(phenylmethoxycarbonylamino)cyclobutyl]carbamic acid
CID 156506450
trans-dimethyl (4S,5S)-4,5-bis(phenylmethoxy)cyclohexane-1,2-dicarboxylate
CID 11004179
benzyl N-(3-iodocyclobutyl)carbamate
CID 177035256

Frequently Asked Questions

What is the IUPAC name of (Z)-2-amino-3-[(3-phenylmethoxycyclobutyl)amino]but-2-enoic acid?
The IUPAC name of (Z)-2-amino-3-[(3-phenylmethoxycyclobutyl)amino]but-2-enoic acid (CID 164920377) is (Z)-2-amino-3-[(3-phenylmethoxycyclobutyl)amino]but-2-enoic acid.
What is the SMILES notation for (Z)-2-amino-3-[(3-phenylmethoxycyclobutyl)amino]but-2-enoic acid?
The canonical SMILES for (Z)-2-amino-3-[(3-phenylmethoxycyclobutyl)amino]but-2-enoic acid is C/C(NC1CC(OCc2ccccc2)C1)=C(/N)C(=O)O.
What is the InChIKey of (Z)-2-amino-3-[(3-phenylmethoxycyclobutyl)amino]but-2-enoic acid?
The InChIKey is RZJZHHUQSMUMHE-UVTDQMKNSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10(14(16)15(18)19)17-12-7-13(8-12)20-9-11-5-3-2-4-6-11/h2-6,12-13,17H,7-9,16H2,1H3,(H,18,19)/b14-10-.
What are the key properties of (Z)-2-amino-3-[(3-phenylmethoxycyclobutyl)amino]but-2-enoic acid?
(Z)-2-amino-3-[(3-phenylmethoxycyclobutyl)amino]but-2-enoic acid has a molecular weight of 276.34 g/mol, XLogP of 1.60, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-amino-3-[(3-phenylmethoxycyclobutyl)amino]but-2-enoic acid is sourced from PubChem (CID 164920377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).